Ethyl N-(4-chlorophenyl)glycinate

Base Information

• Chemical Name: Ethyl N-(4-chlorophenyl)glycinate
• CAS No.: 2521-89-3
• Molecular Formula: C10H12ClNO2
• Molecular Weight: 213.664
• Hs Code.: 2922499990
• NSC Number: 190326
• DSSTox Substance ID: DTXSID30307175
• Nikkaji Number: J1.025.385C
• Wikidata: Q82054532
• Mol file: 2521-89-3.mol

Synonyms:2521-89-3;ETHYL N-(4-CHLOROPHENYL)GLYCINATE;ethyl 2-(4-chloroanilino)acetate;ethyl (4-chlorophenyl)glycinate;ethyl 2-[(4-chlorophenyl)amino]acetate;Ethyl 2-((4-chlorophenyl)amino)acetate;N-(4-Chlorophenyl)glycine ethyl ester;NSC 190326;Glycine, N-(4-chlorophenyl)-, ethyl ester;NSC190326;SCHEMBL657243;ethyl (4-chloroanilino)acetate;DTXSID30307175;ethyl n-(4-chlorophenyl)-glycinate;MFCD00461430;Ethyl 2-(4-chlorophenylamino)acetate;AKOS000254440;HY-W044201;NSC-190326;SB79393;AM805892;AS-39444;2-(4-chloroanilino)acetic acid ethyl ester;BB 0221453;CS-0037204;(4-Chloro-phenylamino)-acetic acid ethyl ester;EN300-6510881;Ethyl N-(4-chlorophenyl)glycinate (Ph(4-Cl)-Gly-OEt)

Chemical Property of Ethyl N-(4-chlorophenyl)glycinate

Chemical Property:

• Vapor Pressure: 0.000291mmHg at 25°C
• Boiling Point: 321.8°Cat760mmHg
• Flash Point: 148.4°C
• PSA: 38.33000
• Density: 1.229g/cm³
• LogP: 2.38800
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

EthylN-(4-chlorophenyl)glycinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=C(C=C1)Cl

Technology Process of Ethyl N-(4-chlorophenyl)glycinate

There total 11 articles about Ethyl N-(4-chlorophenyl)glycinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

diazoacetic acid ethyl ester (623-73-4) + 4-chloro-aniline (106-47-8) → ethyl 2-((4-chlorophenyl)amino)acetate (2521-89-3)

Guidance literature:

With sodium dithionite; myoglobin mutant H₆₄V,V₆₈A; In aq. phosphate buffer; pH=8.0; Reagent/catalyst; chemoselective reaction;

DOI:10.1039/c4cc08753d

Reference yield: 99.0%

→ ethyl 2-((4-chlorophenyl)amino)acetate (2521-89-3)

Guidance literature:

With sodium dithionite; pH=8.0;

Reference yield: 98.0%

4-chloro-aniline (106-47-8) + ethyl iodoacetae (623-48-3) → ethyl 2-((4-chlorophenyl)amino)acetate (2521-89-3)

Guidance literature:

With sodium acetate; In water; at 90 ℃; for 3h;

upstream raw materials:

4-chloro-aniline

chloroacetic acid ethyl ester

ethanol

N-(4-chlorophenyl)glycine

Downstream raw materials:

N-<(4-Chlor-anilino)-acetyl>-N'.N'-dimethyl-ethylendiamin

N-(p-Chlorphenyl)-α-chlor-acetamidoessigsaeureethylester

[1-amino-2-cyano-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-vinyl]-(4-chloro-phenyl)-amino]-aceticacid ethyl ester

(4-Chlor-anilino)-essigsaeure-(2-dimethylamino-ethylester)

Refernces

• 1、 Lin, Yamei,Wang, Fei,Lu, Guo-Ping,Zhang, Xing. "Ethyl cellulose derived porous iron@N-doped carbon material for N–H carbene insertion reaction". . . Retrieved 2021/09/08.
• 2、 Song, Yang,Zhang, Hao,Guo, Jiabao,Shao, Yifei,Ding, Yuzhou,Zhu, Li,Yao, Xiaoquan. "Visible-Light-Induced Oxidative α-Alkylation of Glycine Derivatives with Ethers under Metal-Free Conditions". . p. 5914 - 5921. Retrieved 2021/11/22.