Acetic acid, phenyl-, 2-chloroethyl ester

Base Information

• Chemical Name: Acetic acid, phenyl-, 2-chloroethyl ester
• CAS No.: 943-59-9
• Molecular Formula: C10H11 Cl O2
• Molecular Weight: 198.649
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60241412
• Nikkaji Number: J54.962B
• Wikidata: Q83124921
• Mol file: 943-59-9.mol

Synonyms:2-chloroethyl 2-phenylacetate;943-59-9;2-Chloroethyl phenylacetate;ACETIC ACID, PHENYL-, 2-CHLOROETHYL ESTER;BRN 1948802;C10H11ClO2;3-09-00-02178 (Beilstein Handbook Reference);b-chloroethyl phenylacetate;2-Chloroethyl phenyl acetate;SCHEMBL10836287;DTXSID60241412;IFAWZYKLULDJQC-UHFFFAOYSA-N;Phenylacetic acid 2-chloroethyl ester;Phenylacetic acid, 2-chloroethyl ester;Phenyl-acetic acid 2-chloro-ethyl ester

Chemical Property of Acetic acid, phenyl-, 2-chloroethyl ester

Chemical Property:

• Vapor Pressure: 0.00152mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 295.5°Cat760mmHg
• Flash Point: 145.3°C
• PSA: 26.30000
• Density: 1.167g/cm³
• LogP: 2.01110
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)OCCCl

Technology Process of Acetic acid, phenyl-, 2-chloroethyl ester

There total 7 articles about Acetic acid, phenyl-, 2-chloroethyl ester 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: 92.0%

2-methyl-2-phenyl-1,3-dioxolane (3674-77-9) → β-chloroethyl phenylacetate (943-59-9)

Guidance literature:

With Iodine monochloride; In dichloromethane; for 0.5h; Heating;

DOI:10.1039/c39820001311

Reference yield: 80.0%

oxirane (75-21-8,99932-75-9) + phenylacetyl chloride (103-80-0) → β-chloroethyl phenylacetate (943-59-9)

Guidance literature:

With zinc; In Petroleum ether; at 28 ℃; for 1h;

DOI:10.1021/jo00108a048

Reference yield: 79.0%

1,2-dichloro-ethane (107-06-2,52399-93-6) + phenylacetyl chloride (103-80-0) → β-chloroethyl phenylacetate (943-59-9)

Guidance literature:

With dmap; caesium carbonate; at 50 ℃; for 24h;

DOI:10.1021/acs.orglett.5b02479

upstream raw materials:

ethylene glycol

phenylacetyl chloride

2-(benzyl)-1,3-dioxolane

chloro-trimethyl-silane

Downstream raw materials:

phenylacetic acid

2-phenethyloxyethylchloride

Refernces

• 1、 Ren, Lanhui,Wang, Lianyue,Lv, Ying,Li, Guosong,Gao, Shuang. "An Effective Method for the Construction of Esters Using Cs2CO3 as Oxygen Source". supporting information. p. 5172 - 5175. Retrieved 2015/11/24.
• 2、 Musavirov, R. S.,Mullakhmetova, Z. F.,Nedogrei, E. P.,Kantor, E. A.,Rakmankulov, D. L.. "REACTION OF 2-METHYL-2-PHENYL-1,3-DIOXOLANE WITH TRIMETHYLCHLOROSILANE". . p. 1297 - 1298. Retrieved 2007/10/02.