54063-13-7

Basic information

• Product Name: Ethoxyacetic acid 1-methylethyl ester
• Synonyms: Ethoxyacetic acid 1-methylethyl ester;Ethoxyacetic acid isopropyl ester
• CAS NO: 54063-13-7
• Molecular Formula: C₇H₁₄O₃
• Molecular Weight: 146.18
• Mol File: 54063-13-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Ethoxyacetic acid 1-methylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Ethoxyacetic acid 1-methylethyl ester(54063-13-7)
• EPA Substance Registry System: Ethoxyacetic acid 1-methylethyl ester(54063-13-7)

Safety Data

• Hazardous Substances Data: 54063-13-7(Hazardous Substances Data)

Upstream product

• 627-03-2 3-oxapentanoic acid 
• 67-63-0 isopropyl alcohol 

Downstream Products

• 58141-86-9 Ethoxy-(ethoxy-phenyl-phosphinoylsulfanyl)-acetic acid isopropyl ester 
• 123-82-0 (S)-2-heptylamine 
• 4187-57-9 (S)-1-methyl-3-phenylpropylamine 
• 2627-86-3 (S)-1-phenyl-ethylamine 
• 19144-86-6 (S)-N-acetyl-1-phenylethylamine 
• 3886-69-9 (R)-1-phenyl-ethyl-amine 

Relevant articles and documents

Isopropyl 2-ethoxyacetate—an efficient acylating agent for lipase-catalyzed kinetic resolution of amines in batch and continuous-flow modes

Productivity [conversion (c) and specific reaction rate (rbatchor rflow)] and enantiomer selectivity [enantiomeric ratio (E) and enantiomeric excess (ee) of the products] of ethyl and isopropyl esters of acetic, 2-methoxyacetic and 2-ethoxyacetic acids as acylating agents were compared in the N-acylation of (±)-1-phenylethanamine rac-1 catalyzed by variously immobilized forms of Candida antarctica lipase B (CaLB) using shake flasks and continuous-flow reactors. The effect of the temperature in the 0–80 °C range on productivity and enantiomer selectivity in KRs of rac-1 was investigated with the isopropyl esters in continuous-flow mode using CaLB-filled minireactors. Isopropyl 2-ethoxyacetate surpassed the performance of ethyl 2-methoxyacetate in terms of both productivity (1.9–2.9 times higher rate in batch mode) and enantiomeric selectivity (ee(R)-amide>99.9% compared to 99.8%) providing at 40 °C high volumetric productivity (2.22 kg L?1h?1), specific reaction rate and enantiomeric excess (rflow=783 μmol min?1g?1, ee(R)-2c>99.9%).