Ethyl 2-(2-chlorophenyl)-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-(2-chlorophenyl)-2-oxoacetate
• CAS No.: 62123-75-5
• Molecular Formula: C10H9ClO3
• Molecular Weight: 212.633
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID40468882
• Nikkaji Number: J2.255.301A
• Wikidata: Q82296349
• Mol file: 62123-75-5.mol

Synonyms:ethyl 2-(2-chlorophenyl)-2-oxoacetate;62123-75-5;ETHYL 2-CHLOROBENZOYLFORMATE;MFCD09801392;Ethyl2-(2-chlorophenyl)-2-oxoacetate;2-Chloro-oxo-benzeneacetic acid ethyl ester;SCHEMBL5318594;DTXSID40468882;AC6483;AKOS016017019;ethyl 2-chlorobenzoylformate, AldrichCPR;SY034336;CS-0454390;FT-0737687

Chemical Property of Ethyl 2-(2-chlorophenyl)-2-oxoacetate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 304.921°C at 760 mmHg
• Flash Point: 128.937°C
• PSA: 43.37000
• Density: 1.255g/cm³
• LogP: 2.08580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.0240218
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99.3% ^*data from raw suppliers

Ethyl 2-(2-chlorophenyl)-2-oxoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)C1=CC=CC=C1Cl

Technology Process of Ethyl 2-(2-chlorophenyl)-2-oxoacetate

There total 15 articles about Ethyl 2-(2-chlorophenyl)-2-oxoacetate 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: 63.0%

o-chlorophenyldiazoacetic acid ethyl ester (1398179-33-3) → ethyl 2-(2-chlorophenyl)-2-oxoacetate (62123-75-5)

Guidance literature:

With tris(pentafluorophenyl)borate; dimethyl sulfoxide; at 90 ℃; for 3h; Inert atmosphere;

DOI:10.1002/adsc.202101336

Reference yield: 63.0%

ethanol (64-17-5) + 1-(bromoethynyl)-2-chlorobenzene (1056775-36-0) → ethyl 2-(2-chlorophenyl)-2-oxoacetate (62123-75-5)

Guidance literature:

With oxygen; for 12h; chemoselective reaction; Irradiation;

DOI:10.1039/c9cc04090k

Reference yield: 62.0%

ethyl (2-chlorobenzoyl)acetate (19112-35-7) → ethyl 2-(2-chlorophenyl)-2-oxoacetate (62123-75-5)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; acetic acid; copper(I) bromide; at 100 ℃;

DOI:10.1039/c7ob00241f

upstream raw materials:

ethanol

2-chloromandelic acid

hydrogenchloride

2-chlorobenzoyl cyanide

Downstream raw materials:

(2-Chloro-phenyl)-(dibutyl-ethyl-silanyloxy)-acetic acid ethyl ester

C₁₁H₁₁ClO₂

(S)-iso-propyl α-hydroxy-α-(2-chlorophenyl)acetate

(R)-isopropyl 2-(2-chlorophenyl)-2-hydroxyacetate.

Refernces

• 1、 Ji, Xiaolei,Shen, Chaoren,Tian, Xinxin,Dong, Kaiwu. "Palladium-Catalyzed Asymmetric Hydroesterification of α-Aryl Acrylic Acids to Chiral Substituted Succinates". supporting information. p. 8645 - 8649. Retrieved 2021/10/25.
• 2、 Xu, Jian,Peng, Yongzhen,Wang, Zhiguo,Hu, Yujing,Fan, Jiajie,Zheng, He,Lin, Xianfu,Wu, Qi. "Exploiting Cofactor Versatility to Convert a FAD-Dependent Baeyer–Villiger Monooxygenase into a Ketoreductase". supporting information. p. 14499 - 14503. Retrieved 2019/09/17.