Ethyl 2-(2-chlorophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-(2-chlorophenyl)acetate
• CAS No.: 40061-54-9
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10435288
• Nikkaji Number: J3.078.818D
• Wikidata: Q82250109
• Mol file: 40061-54-9.mol

Synonyms:Ethyl 2-(2-chlorophenyl)acetate;40061-54-9;Benzeneacetic acid, 2-chloro-, ethyl ester;(2-CHLOROPHENYL)ACETIC ACID ETHYL ESTER;MFCD09264019;ETHYL 2-CHLOROPHENYLACETATE;Ethyl2-(2-chlorophenyl)acetate;Dodecanedioyldichloride;ethyl o-chlorophenylacetate;SCHEMBL513530;DTXSID10435288;MUANZYIPCHDGJH-UHFFFAOYSA-N;AR3392;2-Chlorobenzeneacetic acid ethyl ester;AKOS000442210;AB50422;SY108409;CS-0043127;A873494;J-509164

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

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Boiling Point: 258.431oC at 760 mmHg
• Flash Point: 118.312oC
• PSA: 26.30000
• Density: 1.164g/cm3
• LogP: 2.44560
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2-?Chlorophenyl)?aceticAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=CC=C1Cl
• Uses: (2-?Chlorophenyl)?acetic Acid Ethyl Ester is used to prepare clotrimazole analogs with antimalarial activities. It is also used to prepare non-nucleoside adenosine kinase inhibitors of aminoarylarylethynylpyrimidines.

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

There total 17 articles about Ethyl 2-(2-chlorophenyl)acetate 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: 97.0%

2'-chloro-benzeneacetic acid (2444-36-2) + ethanol (64-17-5) → 2-chlorophenylacetic acid ethyl ester (40061-54-9)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield: 95.0%

carbon monoxide (201230-82-2) + sodium ethanolate (141-52-6) + 1-chloro-2-(chloromethyl)benzene (611-19-8) → 2-chlorophenylacetic acid ethyl ester (40061-54-9)

Guidance literature:

With dicobalt octacarbonyl; tetra-(n-butyl)ammonium iodide; In benzene; at 25 ℃; for 6h;

Reference yield: 81.0%

chloroformic acid ethyl ester (541-41-3) + 1-chloro-2-(chloromethyl)benzene (611-19-8) → 2-chlorophenylacetic acid ethyl ester (40061-54-9)

Guidance literature:

1-chloro-2-(chloromethyl)benzene; With chloro-trimethyl-silane; ethylene dibromide; lithium chloride; zinc; In tetrahydrofuran; at 0 - 25 ℃; for 2h; Inert atmosphere;

chloroformic acid ethyl ester; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at -30 - 25 ℃; for 6.42h; Inert atmosphere;

DOI:10.1021/ol7030697

upstream raw materials:

ethanol

2-Chlorophenylacetonitrile

2'-chloro-benzeneacetic acid

1-(2-chlorophenyl)-2-diazoethan-1-one

Downstream raw materials:

1,3-bis(2-chlorophenyl)propan-2-one

6-(2-chlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one

2-(2-chlorophenyl)acetic hydrazide

1-amino-3,5-bis(2-chlorophenyl)piperidine-2,6-dione

Refernces

• 1、 Chai, Jianqi,Chen, Min,Jin, Fei,Kong, Xiangyi,Wang, Xiaobin,Xue, Wei,Yang, Chunlong. "Expedient discovery for novel antifungal leads: 1,3,4-Oxadiazole derivatives bearing a quinazolin-4(3H)-one fragment". . . Retrieved 2021/08/03.
• 2、 Boddy, Alexander J.,Affron, Dominic P.,Cordier, Christopher J.,Rivers, Emma L.,Spivey, Alan C.,Bull, James A.. "Rapid Assembly of Saturated Nitrogen Heterocycles in One-Pot: Diazo-Heterocycle “Stitching” by N–H Insertion and Cyclization". supporting information. p. 1458 - 1462. Retrieved 2019/01/04.