Automated Multitrajectory Method for Reaction Optimization in a Microfluidic System using Online IR Analysis

被引：121

作者：

Moore, Jason S. ^{[1
]}

Jensen, Klavs F. ^{[1
]}

机构：

[1] Dept Chem Engn Novartis MIT Ctr Continuous Mfg Ma, Cambridge, MA 02139 USA

来源：

ORGANIC PROCESS RESEARCH & DEVELOPMENT | 2012年 / 16卷 / 08期

关键词：

PAAL-KNORR SYNTHESIS; MICROREACTOR SYSTEM; ORGANIC-SYNTHESIS; FLOW; CHEMISTRY; PYRROLES;

D O I：

10.1021/op300099x

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

An automated multitrajectory optimization platform with continuous online infrared (IR) monitoring is presented. The production rate of a Paal-Knorr reaction is maximized within a constrained temperature and residence time design space. The automated platform utilizes a microreactor system to carry out optimizations with low material requirements and implements a micro IR flow cell for continuous online monitoring of reaction conversion. The approach to steady state at each set of reaction conditions is assessed continuously before the objective function is evaluated and reactor conditions move to the next set point. Several optimization algorithms are tested for their performance on a complex objective terrain. Each function comes to agreement on the optimal conditions but requires a significantly different number of experiments to reach the final conditions. Additionally, multiple objective functions are compared to analyze the trade-off between production rate and conversion.

引用

页码：1409 / 1415

页数：7

共 41 条

[1] INTERMEDIATES IN THE PAAL-KNORR SYNTHESIS OF PYRROLES 4-OXOALDEHYDES [J].

AMARNATH, V ;

AMARNATH, K ;

VALENTINE, WM ;

ENG, MA ;

GRAHAM, DG .

CHEMICAL RESEARCH IN TOXICOLOGY, 1995, 8 (02) :234-238

[2] INTERMEDIATES IN THE PAAL-KNORR SYNTHESIS OF PYRROLES [J].

AMARNATH, V ;

ANTHONY, DC ;

AMARNATH, K ;

VALENTINE, WM ;

WETTERAU, LA ;

GRAHAM, DG .

JOURNAL OF ORGANIC CHEMISTRY, 1991, 56 (24) :6924-6931

[3]

[Anonymous], DS SER SAMPL TECHN

[4] Pyrrole syntheses by multicomponent coupling reactions [J].

Balme, G .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 43 (46) :6238-6241

[5] Aminolysis of Epoxides in a Microreactor System: A Continuous Flow Approach to β-Amino Alcohols [J].

Bedore, Matthew W. ;

Zaborenko, Nikolay ;

Jensen, Klavs F. ;

Jamison, Timothy F. .

ORGANIC PROCESS RESEARCH & DEVELOPMENT, 2010, 14 (02) :432-440

[6]

Beers KJ, 2007, NUMERICAL METHODS FOR CHEMICAL ENGINEERING: APPLICATIONS IN MATLAB, P1

[7] Solution phase synthesis of a library of tetrasubstituted pyrrole amides [J].

Bianchi, Ivana ;

Forlani, Roberto ;

Minetto, Giacomo ;

Peretto, Ilaria ;

Regalia, Nickolas ;

Taddei, Maurizio ;

Raveglia, Luca F. .

JOURNAL OF COMBINATORIAL CHEMISTRY, 2006, 8 (04) :491-499

[8] Continuous Preparation of Arylmagnesium Reagents in Flow with Inline IR Monitoring [J].

Brodmann, Tobias ;

Koos, Peter ;

Metzger, Albrecht ;

Knochel, Paul ;

Ley, Steven V. .

ORGANIC PROCESS RESEARCH & DEVELOPMENT, 2012, 16 (05) :1102-1113

[9] ReactIR Flow Cell: A New Analytical Tool for Continuous Flow Chemical Processing [J].

Carter, Catherine F. ;

Lange, Heiko ;

Ley, Steven V. ;

Baxendale, Ian R. ;

Wittkamp, Brian ;

Goode, Jon G. ;

Gaunt, Nigel L. .

ORGANIC PROCESS RESEARCH & DEVELOPMENT, 2010, 14 (02) :393-404

[10] Generation of Chemical Movies: FT-IR Spectroscopic Imaging of Segmented Flows [J].

Chan, K. L. Andrew ;

Niu, X. ;

deMello, A. J. ;

Kazarian, S. G. .

ANALYTICAL CHEMISTRY, 2011, 83 (09) :3606-3609

← 1 2 3 4 5 →