57836-79-0

Basic information

• Product Name: Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester
• CAS NO: 57836-79-0
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• Mol File: 57836-79-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester(57836-79-0)
• EPA Substance Registry System: Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester(57836-79-0)

Safety Data

• Hazardous Substances Data: 57836-79-0(Hazardous Substances Data)

Usage

Description

Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester is an organic compound derived from alanine, an essential amino acid. It features a 2-ethyl-6-methylphenyl group attached to the nitrogen atom and a methyl ester functional group. Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester is characterized by its unique structural properties and potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester is used as an intermediate in the synthesis of 4-(2-Ethyl-6-methylphenyl)-2-hydroxy-5-methyl-3-morpholinone (E904560), which is a metabolic residue of metolachlor in tomato fruits. This application is significant for understanding the metabolic processes and potential effects of metolachlor, a widely used herbicide, on the food supply and human health.
Used in Chemical Synthesis:
Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester can be utilized as a building block in the synthesis of various complex organic molecules, particularly those with pharmaceutical or agrochemical applications. Its unique structural features make it a valuable component in the development of new compounds with specific biological activities.
Used in Research and Development:
Alanine, N-(2-ethyl-6-methylphenyl)-, methyl ester can be employed in research and development settings to study the effects of structural modifications on the properties and functions of alanine derivatives. Understanding these relationships can lead to the discovery of new compounds with improved or novel properties, which can be applied in various industries, including pharmaceuticals, agrochemicals, and materials science.

Upstream product

• 5445-17-0 Methyl 2-bromopropionate 
• 24549-06-2 6-ethyl-o-toluidine 

Downstream Products

• 68483-02-3 2-[(2-Ethyl-6-methyl-phenyl)-(3-methoxy-butyryl)-amino]-propionic acid methyl ester 
• 70630-19-2 2-[(2-Ethyl-6-methyl-phenyl)-(2-prop-2-ynyloxy-acetyl)-amino]-propionic acid methyl ester 
• 57837-28-2 2-[(2-sec-Butoxy-acetyl)-(2-ethyl-6-methyl-phenyl)-amino]-propionic acid methyl ester 
• 57837-58-8 N-(1'-methoxycarbonyl-ethyl)-N-allyloxyacetyl-2-methyl-6-ethylaniline 
• 68483-04-5 2-[(2-Ethyl-6-methyl-phenyl)-(3-methoxy-2-methyl-propionyl)-amino]-propionic acid methyl ester 
• 57837-27-1 N-(1'-methoxycarbonyl-ethyl)-N-isopropoxyacetyl-2-methyl-6-ethylaniline 
• 58234-29-0 2-[(2-Ethyl-butyryl)-(2-ethyl-6-methyl-phenyl)-amino]-propionic acid methyl ester 
• 68483-03-4 2-[(2-Ethyl-6-methyl-phenyl)-(3-methoxy-propionyl)-amino]-propionic acid methyl ester 
• 57837-26-0 2-[(2-Ethoxy-acetyl)-(2-ethyl-6-methyl-phenyl)-amino]-propionic acid methyl ester 
• 57837-25-9 2-[(2-Ethyl-6-methyl-phenyl)-(2-methoxy-acetyl)-amino]-propionic acid methyl ester 
• 58234-45-0 2-[(2-Ethyl-6-methyl-phenyl)-(3-methyl-but-2-enoyl)-amino]-propionic acid methyl ester 
• 69516-03-6 (S)-(-)-N-(2-Ethyl-6-methyl-phenyl)-alaninmethylester 
• 75386-37-7 (R)-(+)-N-(2-Ethyl-6-methyl-phenyl)-alaninmethylester 

Relevant articles and documents

Chemoenzymatic synthesis of the chiral herbicide: (S)-metolachlor

A chemoenzymatic approach for the production of (5)-metolachlor, one of the most widely used herbicides, has been developed. The starting material (S)-N-(2-ethyl-6-methylphenyl)alanine was obtained by the use of lipase-catalyzed hydrolytic kinetic resolution. Under the optimal conditions, the good activity and excellent enantioselectivity of lipase B from Candida antarctica (CAL-B, E > 100) are achieved in diethyl ether - water (15% v/v), which is about 9.7-fold more enantioselective than that in a pure buffered aqueous solution (E = 12.1). After a simple extraction procedure is used to separate the acid product from the remaining ester, the remaining ester is racemized, providing the basis for the continuous resolution process. Then (S)-metolachlor is synthesized by a simple chemical method using the enantiomerically pure (S)-acid.

The influence of atropisomerism and chiral centre on the biological activity of metolachlor

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