Ethyl dichlorophenylacetate

Base Information

• Chemical Name: Ethyl dichlorophenylacetate
• CAS No.: 5317-66-8
• Molecular Formula: C10H10 Cl2 O2
• Molecular Weight: 233.094
• Hs Code.: 2916399090
• European Community (EC) Number: 226-178-1
• DSSTox Substance ID: DTXSID8074605
• Nikkaji Number: J80.997G
• Wikidata: Q72467257
• Mol file: 5317-66-8.mol

Synonyms:5317-66-8;ethyl 2,2-dichloro-2-phenylacetate;Ethyl dichlorophenylacetate;Benzeneacetic acid, a,a-dichloro-, ethyl ester;Benzeneacetic acid, .alpha.,.alpha.-dichloro-, ethyl ester;SCHEMBL705709;DTXSID8074605;ethyl2,2-dichloro-2-phenylacetate;dichlorophenylacetic acid ethyl ester;EINECS 226-178-1;Ethyl=2,2-dichloro-2-phenylacetate;MFCD22422347;AKOS015890744;Dichloro-phenyl-acetic acid ethyl ester;SY251826;CS-0089155;EC 226-178-1;W-110026;Benzeneacetic acid, alpha,alpha-dichloro-, ethyl ester

Chemical Property of Ethyl dichlorophenylacetate

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Boiling Point: 284.1°Cat760mmHg
• Flash Point: 112.5°C
• PSA: 26.30000
• Density: 1.278g/cm³
• LogP: 3.09900
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 232.0057849
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

(2,3-Dichlorophenyl)aceticacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl dichlorophenylacetate

There total 4 articles about Ethyl dichlorophenylacetate 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: 79.9%

phenylglyoxylic acid ethyl ester (1603-79-8) → ethyl α,α-dichlorophenylacetate (5317-66-8)

Guidance literature:

With phosphorus pentachloride; at 97 ℃; for 1h;

DOI:10.1021/jo01303a014

Reference yield:

→ ethyl α,α-dichlorophenylacetate (5317-66-8)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

Ethyl 2-phenylethanoate (101-97-3) → ethyl α,α-dichlorophenylacetate (5317-66-8)

Guidance literature:

With tetrachloromethane; sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; for 20h; Ambient temperature;

upstream raw materials:

phenylglyoxylic acid ethyl ester

Ethyl 2-phenylethanoate

phosphorus pentachloride

Downstream raw materials:

(+/-)-1,1-Dichlor-1-phenyl-propan-2-ol

α-chlorostyrene oxide

ethyl 2-chloro-2-phenylacetate

1,1-dichloro-1-phenyl-2-propanone

Refernces

• 1、 McDonald, Richard N.,Cousins, Raymond C.. "Molecular Rearrangements. 13. Kinetics and Mechanism of Rearrangements of Some Ring-Substituted α-Chlorostyrene Oxides and trans-β-Chlorostyrene Oxides.". . p. 2976 - 2984. Retrieved 2007/10/02.