Ethyl dichloroacetate

Base Information

• Chemical Name: Ethyl dichloroacetate
• CAS No.: 535-15-9
• Molecular Formula: C4H6Cl2O2
• Molecular Weight: 156.996
• Hs Code.: 2915400090
• European Community (EC) Number: 208-611-6
• NSC Number: 27788,6748
• UNII: GZT46P7R49
• DSSTox Substance ID: DTXSID7060205
• Nikkaji Number: J133.516B
• Wikidata: Q81989063
• Mol file: 535-15-9.mol

Synonyms:ETHYL DICHLOROACETATE;535-15-9;Ethyl 2,2-dichloroacetate;Acetic acid, dichloro-, ethyl ester;Dichloroacetic acid, ethyl ester;Ethyl dichloroethanoate;Acetic acid, 2,2-dichloro-, ethyl ester;AI3-28936;dichloroacetic acid ethyl ester;GZT46P7R49;EINECS 208-611-6;NSC 27788;NSC-27788;Ethyl 2,2-dichloro-acetate;UNII-GZT46P7R49;SCHEMBL288128;dichloro-acetic acid ethyl ester;DTXSID7060205;NSC6748;NSC-6748;NSC27788;MFCD00018858;AKOS015950637;Ethyl dichloroacetate, >=99.0% (GC);FT-0632332;EN300-125897;F16295;[(5-Fluoro-1H-benzimidazol-2-yl)methoxy]aceticacid

Chemical Property of Ethyl dichloroacetate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 3.72mmHg at 25°C
• Refractive Index: n20/D 1.438
• Boiling Point: 151.1 °C at 760 mmHg
• Flash Point: 55.6 °C
• PSA: 26.30000
• Density: 1.295 g/cm³
• LogP: 1.35320
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 155.9744848
• Heavy Atom Count: 8
• Complexity: 82.1

Purity/Quality:

99%, ^*data from raw suppliers

2,2-Dichloro-ethylEsterAceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21-36/37
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(Cl)Cl
• Uses: Ethyl dichloroacetate may be used in the synthesis of α-halo-carboxylic acid ester.

Technology Process of Ethyl dichloroacetate

There total 49 articles about Ethyl dichloroacetate 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: 96.0%

trichloroethylene epoxide (16967-79-6) + ethanol (64-17-5) → ethyl 1,1-dichloroacetate (535-15-9)

Guidance literature:

at 0 ℃;

Reference yield: 95.0%

1,1,1-triethoxy-2,2-dichloroethane (54567-92-9) → ethanol (64-17-5) + ethyl acetate (141-78-6) + ethyl 1,1-dichloroacetate (535-15-9)

Guidance literature:

With acetic acid; Heating;

Reference yield: 79.0%

Ethyl trichloroacetate (515-84-4) → ethyl 1,1-dichloroacetate (535-15-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In N,N-dimethyl acetamide; at 25 ℃; for 1h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/adsc.201100778

upstream raw materials:

dichloro-acetic acid

ethanol

1,1,2,2-tetrachloroethylene

sodium ethanolate

Downstream raw materials:

chloro-(1-hydroxy-2-methyl-cyclohexyl)-acetic acid ethyl ester

2,2-dichloro-N-(2-phenylethyl)acetamide

benzoyl(dichloroacetyl)methane

ethyl 3-hydroxy-3-phenylbutyrate

Refernces

• 1、 Rathnayake, Manjula D.,Weaver, Jimmie D.. "Alkyl Halides via Visible Light Mediated Dehalogenation". supporting information. p. 9681 - 9687. Retrieved 2019/11/28.
• 2、 Sawama, Yoshinari,Imanishi, Takahiro,Nakatani, Ryosuke,Fujiwara, Yuta,Monguchi, Yasunari,Sajiki, Hironao. "Efficient partial hydrogenation of trichloromethyl to gem-dichloromethyl groups in platinum on carbon-catalyzed system". supporting information. p. 4540 - 4546. Retrieved 2014/06/10.