13511-30-3

Basic information

• Product Name: Benzeneacetic acid, 2-chloro-a-hydroxy-, ethyl ester
• CAS NO: 13511-30-3
• Molecular Formula: C10H11ClO3
• Molecular Weight: 214.649
• Mol File: 13511-30-3.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzeneacetic acid, 2-chloro-a-hydroxy-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 2-chloro-a-hydroxy-, ethyl ester(13511-30-3)
• EPA Substance Registry System: Benzeneacetic acid, 2-chloro-a-hydroxy-, ethyl ester(13511-30-3)

Safety Data

• Hazardous Substances Data: 13511-30-3(Hazardous Substances Data)

Upstream product

• 64-17-5 ethanol 
• 66985-47-5 2-chloro-α-[(trimethylsilyl)oxy]benzeneacetonitrile 
• 40061-54-9 2-chlorophenylacetic acid ethyl ester 
• 1398179-33-3 o-chlorophenyldiazoacetic acid ethyl ester 
• 89-98-5 2-chloro-benzaldehyde 
• 10421-85-9 2-chloromandelic acid 

Downstream Products

• 421545-87-1 ethyl 2-(2-chlorophenyl)-2-hydroxyacetate 
• 62123-75-5 ethyl 2-(2-chlorophenyl)-2-oxoacetate 
• 10421-85-9 (S)-2-chloromandelic acid 
• 10421-85-9 (R)-2-chloromandelic acid 
• 871836-58-7 ethyl 2-chloromandelate 
• 2856-79-3 ethyl α-bromo-2-chlorophenylacetate 

Relevant articles and documents

Exploiting Cofactor Versatility to Convert a FAD-Dependent Baeyer–Villiger Monooxygenase into a Ketoreductase

Cyclohexanone monooxygenases (CHMOs) show very high catalytic specificity for natural Baeyer–Villiger (BV) reactions and promiscuous reduction reactions have not been reported to date. Wild-type CHMO from Acinetobacter sp. NCIMB 9871 was found to possess an innate, promiscuous ability to reduce an aromatic α-keto ester, but with poor yield and stereoselectivity. Structure-guided, site-directed mutagenesis drastically improved the catalytic carbonyl-reduction activity (yield up to 99 %) and stereoselectivity (ee up to 99 %), thereby converting this CHMO into a ketoreductase, which can reduce a range of differently substituted aromatic α-keto esters. The improved, promiscuous reduction activity of the mutant enzyme in comparison to the wild-type enzyme results from a decrease in the distance between the carbonyl moiety of the substrate and the hydrogen atom on N5 of the reduced flavin adenine dinucleotide (FAD) cofactor, as confirmed using docking and molecular dynamics simulations.

CeCl3·7H2O: An effective additive in ru-catalyzed enantioselective hydrogenation of aromatic α-ketoesters

(Chemical Equation Presented) In the presence of catalytic amounts of CeCl3·7H2O, [RuCl(benzene)(S)-SunPhos]Cl is a highly effective catalyst for the asymmetric hydrogenation of aromatic α-ketoesters. A variety of ethyl α-hydroxy-α-arylacetates have been prepared in up to 98.3% ee with a TON up to 10 000. Challenging aromatic α-ketoesters with ortho substituents are also hydrogenated with high enantioselectivities. The addition of CeCl3·7H2O not only improves the enantioselectivity but also enhances the stability of the catalyst. The ratio of CeCl3·7H2O to [RuCl(benzene)(S)-SunPhos]Cl plays an important role in the hydrogenation reaction with a large substrate/catalyst ratio.

(Dipropylphenoxy)phenylacetic acids: A new generation of nonpeptide angiotensin II receptor antagonists

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