6436-90-4

Basic information

• Product Name: N-Benzylglycine ethyl ester
• Synonyms: BZL-GLY-OET;ETHYL 2-(BENZYLAMINO)ACETATE;ETHYL BENZYLAMINOACETATE;BENZYLAMINO-ACETIC ACID ETHYL ESTER;AKOS 229;N-BZL-GLY-OET;N-BENZYLGLYCINE ETHYL ESTER;N-ALPHA-BENZYL-GLYCINE-ETHYL ESTER
• CAS NO: 6436-90-4
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.24
• EINECS: 229-218-6
• Product Categories: Benzene derivatives;Glycine [Gly, G];Amino Acid Ethyl Esters;Amino Acids;Amino Acids (C-Protected);Biochemistry;Amino ester
• Mol File: 6436-90-4.mol
• Article Data: 69

Chemical Properties

• Boiling Point: 140-142 °C10 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.031 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00464mmHg at 25°C
• Refractive Index: n20/D 1.506(lit.)
• Storage Temp.: 2-8°C
• PKA: 6.84±0.20(Predicted)
• Water Solubility: Not miscible or difficult to mix in water.
• BRN: 2104816
• CAS DataBase Reference: N-Benzylglycine ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-Benzylglycine ethyl ester(6436-90-4)
• EPA Substance Registry System: N-Benzylglycine ethyl ester(6436-90-4)

Safety Data

• Hazard Codes: C,Xi,Xn
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 23-24/25-45-36/37/39-26-36
• RIDADR: UN2735
• WGK Germany: 3
• Hazardous Substances Data: 6436-90-4(Hazardous Substances Data)

Usage

Description

N-Benzylglycine ethyl ester, also known as N-benzyl-2-aminoacetate ethyl ester, is an organic compound that serves as a crucial intermediate in various chemical syntheses. It is a clear, colorless to light yellow liquid with significant applications across different industries due to its unique chemical properties.

Uses

Used in Organic Synthesis:
N-Benzylglycine ethyl ester is used as a key intermediate for the synthesis of various organic compounds. Its versatile structure allows for the creation of a wide range of products, making it an essential component in this field.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, N-Benzylglycine ethyl ester is utilized as a building block for the development of new drugs. Its unique chemical properties enable the design and synthesis of novel therapeutic agents, contributing to the advancement of medicinal chemistry.
Used in Agrochemicals:
N-Benzylglycine ethyl ester is employed as a vital component in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these products enhances their effectiveness in protecting crops and controlling pests, thereby contributing to increased agricultural productivity.
Used in Dye Industry:
In the dyestuff field, N-Benzylglycine ethyl ester is used as a raw material for the synthesis of various dyes and pigments. Its chemical properties allow for the creation of a diverse array of colorants, which are essential for various applications, including textiles, plastics, and printing inks.

InChI:InChI=1/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/p+1

Upstream product

• 105-39-5 chloroacetic acid ethyl ester 
• 100-46-9 benzylamine 
• 459-73-4 GlyOEt*HCl 
• 924-44-7 glyoxylic acid ethyl ester 
• 100-44-7 benzyl chloride 
• 140-88-5 ethyl acrylate 
• 100-39-0 benzyl bromide 
• 1499-53-2 ethyl hippurate 
• 136159-62-1 tert-butyl ethyl N-benzyl-N-(tert-butoxycarbonyl)glycinate 
• 56599-00-9 diethyl N-benzyl-2-aminomalonate 
• 56598-99-3 diethyl 2-(benzylamino)malonate hydrochloride 
• 623-73-4 diazoacetic acid ethyl ester 
• 3287-99-8 benzylamine hydrochloride 
• 100-52-7 benzaldehyde 

Downstream Products

• 76075-07-5 N-benzyl-N-formyl-glycine ethyl ester 
• 83515-66-6 1-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one 
• 858252-65-0 N-benzyl-N-hexanoyl-glycine ethyl ester 
• 71435-31-9 N-Benzyl-N-(2-phenyl-2-cyanovinyl)-glycin-ethylester 
• 1843-49-8 4-benzyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione 
• 74458-01-8 {Benzyl-[(E)-2-cyano-2-((3aS,4R,6R,6aR)-2,2-dimethyl-6-trityloxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-vinyl]-amino}-acetic acid ethyl ester 
• 74458-01-8 {Benzyl-[(E)-2-cyano-2-((3aS,4S,6R,6aR)-2,2-dimethyl-6-trityloxymethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-vinyl]-amino}-acetic acid ethyl ester 
• 95307-03-2 ethyl-N-benzyl-N-phenylthiomethylglycinate 
• 169616-29-9 ethyl 4-amino-1-benzyl-1H-imidazole-5-carboxylate 
• 209627-20-3 N-benzyl-N-ethoxycarbonylmethyl-3-aminopyrazine-2-carboxamide 
• 220663-44-5 (S)-1-benzyl-3-isopropylpiperazine-2,5-dione 
• 104-63-2 N-Benzylethanolamine 
• 86666-85-5 N^α-Boc-Ala-N^α-benzylglycine ethyl ester 
• 26209-45-0 N-benzyl-2,2-dimethylpropanamide 

Relevant articles and documents

Novel KRAS G12C protein inhibitor as well as preparation method and application thereof

The invention belongs to the field of medicinal chemistry, and relates to a novel KRAS G12C protein inhibitor as well as a preparation method and application thereof. Specifically, the invention provides a compound with a structure as shown in a formula I, and the compound can be used as an efficient KRAS G12C protein inhibitor and has various pharmacological activities of resisting tumors, proliferative diseases, inflammation, autoimmune diseases and the like.

N-benzyl glycine ethyl ester preparation and purification method

The invention provides an N-benzyl glycine ethyl ester preparation and purification method, which comprises: preparing a N-benzyl glycine ethyl ester hydrochloride, wherein benzylamine and halogenatedethyl acetate are taken, and are subjected to a room temperature stirring reaction in an organic solvent, water is added after the HPLC detection results show that the reaction is completed, extracting is performed, an organic mixed solution of hydrochloric acid is added into the organic layer in a dropwise manner, the pH value is adjusted to 1-2, the solid is precipitated, and filtering and drying are performed; and adding water into the N-benzyl glycine ethyl ester hydrochloride, carrying out stirring dissolving, adjusting the pH value to 7-8 by using an alkali, adding an organic solvent, extracting, drying the organic layer by using anhydrous sodium sulfate, filtering, and carrying out pressure reducing concentrating to achieve a dry state so as to obtain the product N-benzyl glycine ethyl ester hydrochloride. The preparation method of the invention is simple in process operation, high in product yield, high in product purity and easy for industrial production.

Structure-property relationship study of n-(hydroxy)peptides for the design of self-assembled parallel β-sheets

The design of novel and functional biomimetic foldamers remains a major challenge in creating mimics of native protein structures. Herein, we report the stabilization of a remarkably short β-sheet by incorporating N-(hydroxy)glycine (Hyg) residues into the backbone of peptides. These peptide- peptoid hybrids form unique parallel β-sheet structures by selfassembly upon hydrogenation. Our spectroscopic and crystallographic data suggest that the local conformational perturbations induced by N-(hydroxy)amides are outweighed by a network of strong interstrand hydrogen bonds.