Methyl dichloro(fluoro)acetate

Base Information

• Chemical Name: Methyl dichloro(fluoro)acetate
• CAS No.: 431-44-7
• Molecular Formula: C₃H₃Cl₂FO₂
• Molecular Weight: 160.96
• DSSTox Substance ID: DTXSID30545010
• Wikidata: Q82422362
• Mol file: 431-44-7.mol

Synonyms:methyl dichloro(fluoro)acetate;431-44-7;METHYL DICHLOROFLUOROACETATE;methyl 2,2-dichloro-2-fluoroacetate;Dichloro-fluoro-acetic acid methyl ester;methyl fluorodichloroacetate;me-thyl dichlorofluoroacetate;methyl dichloro-fluoroacetate;SCHEMBL3592898;DTXSID30545010;AKOS025213160;EN300-7563633;acetic acid, 2,2-dichloro-2-fluoro-, methyl ester

Chemical Property of Methyl dichloro(fluoro)acetate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 159.9494129
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(F)(Cl)Cl

Technology Process of Methyl dichloro(fluoro)acetate

There total 1 articles about Methyl dichloro(fluoro)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: 65.0%

Methyl trichloroacetate (598-99-2) → metyhyl chlorodifluoroacetate (1514-87-0) + methyl 2,2-dichloro-2-fluoroacetate (431-44-7)

Guidance literature:

With bromine; antimony(III) fluoride; at 120 - 130 ℃;

DOI:10.1246/cl.1987.1145

Reference yield: 90.0%

methyl 2,2-dichloro-2-fluoroacetate (431-44-7) + benzylamine (100-46-9) → N-benzyldichlorofluoroacetamide (160320-84-3)

Guidance literature:

In diethyl ether; for 24h;

DOI:10.1016/0022-1139(94)03133-9

Reference yield: 83.0%

methyl 2,2-dichloro-2-fluoroacetate (431-44-7) + 4-methyl-benzaldehyde (104-87-0) → (Z)-methyl 2-fluoro-3-(p-tolyl)acrylate (112854-19-0)

Guidance literature:

With 4 A molecular sieve; acetic anhydride; copper(l) chloride; zinc; In tetrahydrofuran; at 50 ℃; for 2h;

DOI:10.1246/cl.1987.1145

upstream raw materials:

Methyl trichloroacetate

Downstream raw materials:

((Z)-2-Chloro-2-fluoro-1-trifluoromethyl-vinyl)-benzene

trans-α-trifluoromethyl-β,β-fluorochlorostyrene

2,2-dichloro-2-fluoro-1,1-diphenyl-ethanol

(Chloro-fluoro-methylene)-cyclohexane

Refernces