Forskare som arbetar inom syntetisk organisk kemi befinner sig under ökat tryck för att upptäcka och utveckla innovativa syntetiska vägar och robusta kemiska processer så snabbt som möjligt. In-line Process Analytical Technologies (PAT), eller processanalytiska teknologier in-line, kan tillhandahålla viktiga ledtrådar som gör det möjligt för forskare att förstå kinetiken, vägarna och mekanismerna för kemiska reaktioner. Utrustade med förbättrad reaktionsförståelse, kan vetenskapsmännen snabbt optimera och skala upp processerna med ökad robusthet och prestanda. Besök applikationsbiblioteket för nya publikationer och industriapplikationer.


Förbättra katalysatorprestandan för
Tandemhydroformylering/-hydrering
Forskare tillämpade reaktionsövervakning in situ för att förstå aktiviteten och robustheten hos nya katalysatorkomponenter för hydroformulering/-hydrering. Genom att mäta kinetik, vägar och reaktionsmekanismer, kunde optimala förhållanden för katalysatorprestandan identifieras.

Reaktionsövervakning i realtid
Fourier Transform Infrared-spektroskopi (FTIR)in situ är lämplig för många sorters kemi och ger realtidsövervakning av nyckelreaktionsarter. ReactIR, som är designad för att följa reaktionsförlopp, tillhandahåller specifik information om reaktionsinitiering, konvertering, intermediärer och slutpunkt, även under besvärliga förhållanden som försvårar offline-provtagning och analys, som exempelvis reaktioner under tryck eller vid extrema temperaturer. Applikationer/användningsområden inkluderar katalysatoroptimering, hydrering, polymerisation och högreaktiv kemi.

Experimentdesign
för optimerade reaktionsförhållanden
Forskare använder sig ofta av experimentdesign för att maximera informationen vid planering av kontrollerade experiment. Produktsammansättning, stereospecificitet, utbyte och föroreningar optimeras genom att ändra reaktionsförhållanden som exempelvis temperatur, lösningsmedel, katalysator och koncentrationerna för substrat eller reagens. Effektiv undersökning av de påverkande faktorerna med endast ett litet antal experiment kräver att experimenten utförs under välkontrollerade, exakta och reproducerbara förhållanden. Allt detta bör helst ske automatiskt eller halvautomatiskt i liten skala och snabbt leda till optimerade reaktionsförhållanden.

Arbetsstationer för organisk syntes
Nya tekniker för bättre kemi
Småskaliga arbetsstationer för organisk syntes gör det möjligt för kemister att snabbt och effektivt utföra experiment dag och natt med kontroll över temperatur, blandning, dosering och pH. Att kombinera automatiska labbreaktorer med oövervakade, representativa provtagnings- eller in situ-analysverktyg ger en extra nivå av processutvecklingsförståelse från partikelstorlek till molekylär nivå för reaktionsväg, kinetik och reaktionsförlopp. Dessa arbetsstationer för organisk syntes är lättanvända, har hög repeterbarhet och är sammankopplade via programvarustyrning och datadelning.

Innovativa tekniker
Att syntetisera genombrottsmolekyler
Upptäck hur forskare tillämpar effektiva metoder för att utveckla nya syntetiska vägar och optimerar kritiska processförhållanden. 4 fallstudier belyser hur ledande läkemedelsföretag expanderar synteslabbprestandan.

Uppskalning och optimering
Högreaktiv kemi
Högreaktiv kemi förknippas med potentiellt farliga reaktanter, intermediärer och produkter och inbegriper ofta mycket exotermiska reaktioner. Att säkerställa säkra driftsförhållanden, minimera mänsklig exponering och inhämta maximal mängd information från varje experiment är nyckelfaktorer när det gäller framgångsrik design och uppskalning av högreaktiv kemi. In situ-reaktionsövervakning har en grundläggande betydelse eftersom högreaktiva material ofta är instabila vilket begränsar möjligheterna för offline-provtagning.Exempel inkluderar syntes av Grignard-reagenter.
Applikationer
Synthetic Organic Chemistry Applications
Isocyanates are critical building blocks for high performance polyurethane-based polymers that make up coatings, foams, adhesives, elastomers, and insulation. Concerns over exposure to residual isocyanates led to new limits for residual isocyanates in new products. Traditional analytical methods for measuring the residual isocyanate (NCO) concentration using offline sampling and analysis raise concerns. In situ monitoring with process analytical technology addresses these challenges and enables manufacturers and formulators to ensure that product quality specifications, personnel safety, and environmental regulations are met.
Polymerization reaction measurement is crucial to produce material that meets requirements, including Immediate understanding, accurate and reproducible, Improved safety.
Impurity profiling aims at identification and subsequent quantification of specific components present at low levels, usually less than 1% and ideally lower than 0.1 %.
Chemical reaction kinetics, also known as reaction kinetics, reflect rates of chemical reactions. Learn how reaction kinetic studies provide enhanced insight into reaction mechanisms.
Continuous flow chemistry opens options with exothermic synthetic steps that are not possible in batch reactors, and new developments in flow reactor design provide alternatives for reactions that are mixing limited in batch reactors. This can often result in better product quality and higher yield. When coupled with Process Analytical Technology (PAT), flow chemistry allows for rapid analysis, optimization, and scale-up of a chemical reaction.
Grignard reactions are one of the most important reaction classes in organic chemistry. Grignard reactions are useful for forming carbon-carbon bonds. Grignard reactions form alcohols from ketones and aldehydes, as well as react with other chemicals to form a myriad of useful compounds. Grignard reactions are performed using a Grignard reagent, which is typically a alkyl-, aryl- or vinyl- organomagnesium halide compound. To ensure optimization and safety of Grignard reactions in research, development and production, in situ monitoring and understanding reaction heat flow is important.
Hydrogenation reactions are used in the manufacturing of both bulk and fine chemicals for reducing multiple bonds to single bonds. Catalysts are typically used to promote these reactions and reaction temperature, pressure, substrate loading, catalyst loading, and agitation rate all effect hydrogen gas uptake and overall reaction performance. Thorough understanding of this energetic reaction is important and PAT technology in support of HPLC analysis ensure safe, optimized and well-characterized chemistry.
Highly reactive chemistry is a terminology used to describe chemical reactions that are particularly challenging to handle and develop due to the potentially hazardous and/or energetic nature of the reactants, intermediates and products that are present during synthesis. These chemistries often involve highly exothermic reactions which require specialized equipment or extreme operating conditions (such as low temperature) to ensure adequate control. Ensuring safe operating conditions, minimizing human exposure, and gaining the maximum amount of information from each experiment are key factors in successfully designing and scaling-up highly reactive chemistries.
Many processes require reactions to be run under high pressure. Working under pressure is challenging and collecting samples for offline analysis is difficult and time consuming. A change in pressure could affect reaction rate, conversion and mechanism as well as other process parameters plus sensitivity to oxygen, water, and associated safety issues are common problems.
Hydroformylation, or oxo synthesis, catalytic processes that synthesize aldehydes from alkenes. The resultant aldehydes form the feedstock for many other useful organic compounds.
Halogenation occurs when one of more fluorine, chlorine, bromine, or iodine atoms replace one or more hydrogen atoms in an organic compound. Depending on the specific halogen, the nature of the substrate molecule and overall reaction conditions, halogenation reactions can be very energetic and follow different pathways. For this reason, understanding these reactions from a kinetics and thermodynamic perspective is critical to ensuring yield, quality and safety of the process.
Catalysts create an alternative path to increase the speed and outcome of a reaction, so a thorough understanding of the reaction kinetics is important. Not only does that provide information about the rate of the reaction, but also provides insight into the mechanism of the reaction. There are two types of catalytic reactions: heterogeneous and homogeneous. Heterogeneous is when the catalyst and reactant exist in two different phases. Homogeneous is when the catalyst and the reactant are in the same phase..
One of the four major classes of chemical reactions, synthesis reactions are represented by important examples in organic synthesis, catalyzed chemistry, polymerizations and inorganic/organometallic chemistry. In the simplest case, a synthesis reaction occurs when two molecules combine to form a third, more complex product molecule. Often, synthesis reactions are more complex and require a thorough understanding of the kinetics and mechanisms of the underlying chemistry, as well as carefully controlled reaction conditions.
Design of Experiments (DoE) requires experiments to be conducted under well-controlled and reproducible conditions in chemical process optimization. Chemical synthesis reactors are designed to perform DoE investigations ensuring high quality data.
Fourier Transform Infrared (FTIR) Spectroscopy For Real-Time Monitoring Of Chemical Reactions
Reaction mechanisms describe the successive steps at the molecular level that take place in a chemical reaction. Reaction mechanisms cannot be proven, but rather postulated based on empirical experimentation and deduction. In situ FTIR spectroscopy provides information to support reaction mechanisms hypotheses.
Organometallic Synthesis, or Organometallic Chemistry, refers to the process of creating organometallic compounds, and is among the most researched areas in chemistry. Organometallic compounds are frequently used in fine chemical syntheses and to catalyze reactions. In situ Infrared and Raman spectroscopy are among the most powerful analytical methods for the study of organometallic compounds and syntheses.
Oligonucleotide synthesis is the chemical process by which nucleotides are specifically linked to form a product of desired sequenced.
Alkylation is the process by when an alkyl group is added to a substrate molecule. Alkylation is a widely used technique in organic chemistry.
This page outlines what epoxides are, how they are synthesized and technology to track reaction progression, including kinetics and key mechanisms.
The Suzuki and related cross-coupling reactions use transition metal catalysts, such as palladium complexes, to form C-C bonds between alkyl and aryl halides with various organic compounds. These catalyzed reactions are widely used methods to efficiently increase molecular complexity in pharmaceutical, polymer, and natural product syntheses. PAT technology is used to investigate cross-coupled reactions with regard to kinetics, mechanisms, thermodynamics, and the effect of reaction variables on performance and safety.
Lithiation and organolithium reactions are key in the development of complex pharmaceutical compounds; organolithium compounds also act as initiators in certain polymerization reactions.
C-H bond activation is a series of mechanistic processes by which stable carbon-hydrogen bonds in organic compounds are cleaved.
Organocatalysis is the use of specific organic molecules that can accelerate chemical reactions via catalytic activation.
Isocyanates are critical building blocks for high performance polyurethane-based polymers that make up coatings, foams, adhesives, elastomers, and insulation. Concerns over exposure to residual isocyanates led to new limits for residual isocyanates in new products. Traditional analytical methods for measuring the residual isocyanate (NCO) concentration using offline sampling and analysis raise concerns. In situ monitoring with process analytical technology addresses these challenges and enables manufacturers and formulators to ensure that product quality specifications, personnel safety, and environmental regulations are met.
Polymerization reaction measurement is crucial to produce material that meets requirements, including Immediate understanding, accurate and reproducible, Improved safety.
Impurity profiling aims at identification and subsequent quantification of specific components present at low levels, usually less than 1% and ideally lower than 0.1 %.
Chemical reaction kinetics, also known as reaction kinetics, reflect rates of chemical reactions. Learn how reaction kinetic studies provide enhanced insight into reaction mechanisms.
Continuous flow chemistry opens options with exothermic synthetic steps that are not possible in batch reactors, and new developments in flow reactor design provide alternatives for reactions that are mixing limited in batch reactors. This can often result in better product quality and higher yield. When coupled with Process Analytical Technology (PAT), flow chemistry allows for rapid analysis, optimization, and scale-up of a chemical reaction.
Grignard reactions are one of the most important reaction classes in organic chemistry. Grignard reactions are useful for forming carbon-carbon bonds. Grignard reactions form alcohols from ketones and aldehydes, as well as react with other chemicals to form a myriad of useful compounds. Grignard reactions are performed using a Grignard reagent, which is typically a alkyl-, aryl- or vinyl- organomagnesium halide compound. To ensure optimization and safety of Grignard reactions in research, development and production, in situ monitoring and understanding reaction heat flow is important.
Hydrogenation reactions are used in the manufacturing of both bulk and fine chemicals for reducing multiple bonds to single bonds. Catalysts are typically used to promote these reactions and reaction temperature, pressure, substrate loading, catalyst loading, and agitation rate all effect hydrogen gas uptake and overall reaction performance. Thorough understanding of this energetic reaction is important and PAT technology in support of HPLC analysis ensure safe, optimized and well-characterized chemistry.
Highly reactive chemistry is a terminology used to describe chemical reactions that are particularly challenging to handle and develop due to the potentially hazardous and/or energetic nature of the reactants, intermediates and products that are present during synthesis. These chemistries often involve highly exothermic reactions which require specialized equipment or extreme operating conditions (such as low temperature) to ensure adequate control. Ensuring safe operating conditions, minimizing human exposure, and gaining the maximum amount of information from each experiment are key factors in successfully designing and scaling-up highly reactive chemistries.
Many processes require reactions to be run under high pressure. Working under pressure is challenging and collecting samples for offline analysis is difficult and time consuming. A change in pressure could affect reaction rate, conversion and mechanism as well as other process parameters plus sensitivity to oxygen, water, and associated safety issues are common problems.
Hydroformylation, or oxo synthesis, catalytic processes that synthesize aldehydes from alkenes. The resultant aldehydes form the feedstock for many other useful organic compounds.
Halogenation occurs when one of more fluorine, chlorine, bromine, or iodine atoms replace one or more hydrogen atoms in an organic compound. Depending on the specific halogen, the nature of the substrate molecule and overall reaction conditions, halogenation reactions can be very energetic and follow different pathways. For this reason, understanding these reactions from a kinetics and thermodynamic perspective is critical to ensuring yield, quality and safety of the process.
Catalysts create an alternative path to increase the speed and outcome of a reaction, so a thorough understanding of the reaction kinetics is important. Not only does that provide information about the rate of the reaction, but also provides insight into the mechanism of the reaction. There are two types of catalytic reactions: heterogeneous and homogeneous. Heterogeneous is when the catalyst and reactant exist in two different phases. Homogeneous is when the catalyst and the reactant are in the same phase..
One of the four major classes of chemical reactions, synthesis reactions are represented by important examples in organic synthesis, catalyzed chemistry, polymerizations and inorganic/organometallic chemistry. In the simplest case, a synthesis reaction occurs when two molecules combine to form a third, more complex product molecule. Often, synthesis reactions are more complex and require a thorough understanding of the kinetics and mechanisms of the underlying chemistry, as well as carefully controlled reaction conditions.
Design of Experiments (DoE) requires experiments to be conducted under well-controlled and reproducible conditions in chemical process optimization. Chemical synthesis reactors are designed to perform DoE investigations ensuring high quality data.
Fourier Transform Infrared (FTIR) Spectroscopy For Real-Time Monitoring Of Chemical Reactions
Reaction mechanisms describe the successive steps at the molecular level that take place in a chemical reaction. Reaction mechanisms cannot be proven, but rather postulated based on empirical experimentation and deduction. In situ FTIR spectroscopy provides information to support reaction mechanisms hypotheses.
Organometallic Synthesis, or Organometallic Chemistry, refers to the process of creating organometallic compounds, and is among the most researched areas in chemistry. Organometallic compounds are frequently used in fine chemical syntheses and to catalyze reactions. In situ Infrared and Raman spectroscopy are among the most powerful analytical methods for the study of organometallic compounds and syntheses.
Oligonucleotide synthesis is the chemical process by which nucleotides are specifically linked to form a product of desired sequenced.
Alkylation is the process by when an alkyl group is added to a substrate molecule. Alkylation is a widely used technique in organic chemistry.
This page outlines what epoxides are, how they are synthesized and technology to track reaction progression, including kinetics and key mechanisms.
The Suzuki and related cross-coupling reactions use transition metal catalysts, such as palladium complexes, to form C-C bonds between alkyl and aryl halides with various organic compounds. These catalyzed reactions are widely used methods to efficiently increase molecular complexity in pharmaceutical, polymer, and natural product syntheses. PAT technology is used to investigate cross-coupled reactions with regard to kinetics, mechanisms, thermodynamics, and the effect of reaction variables on performance and safety.
Lithiation and organolithium reactions are key in the development of complex pharmaceutical compounds; organolithium compounds also act as initiators in certain polymerization reactions.
C-H bond activation is a series of mechanistic processes by which stable carbon-hydrogen bonds in organic compounds are cleaved.
Organocatalysis is the use of specific organic molecules that can accelerate chemical reactions via catalytic activation.