Methyl chlorodifluoroacetate

Base Information

• Chemical Name: Methyl chlorodifluoroacetate
• CAS No.: 1514-87-0
• Molecular Formula: C3H3ClF2O2
• Molecular Weight: 144.505
• Hs Code.: 29159000
• European Community (EC) Number: 216-154-9
• DSSTox Substance ID: DTXSID5061742
• Nikkaji Number: J206.718H
• Wikidata: Q72489188
• Mol file: 1514-87-0.mol

Synonyms:Methyl chlorodifluoroacetate;1514-87-0;Methyl 2-chloro-2,2-difluoroacetate;Chlorodifluoroacetic Acid Methyl Ester;Acetic acid, chlorodifluoro-, methyl ester;methyl chloro(difluoro)acetate;methyl difluorochloroacetic acid;Acetic acid, 2-chloro-2,2-difluoro-, methyl ester;EINECS 216-154-9;MFCD00000775;ClCF2COOMe;ClCF2CO2Me;methyl chlorodifluroacetate;3-Methoxybutylchloroformate;C3H3ClF2O2;SCHEMBL132957;C3-H3-Cl-F2-O2;DTXSID5061742;AWUPLMYXZJKHEG-UHFFFAOYSA-;Methyl chlorodifluoroacetate, 99%;BCP24416;methyl-2-chloro-2,2-difluoroacetate;STL414617;AKOS009031549;chlorodifluoro acetic acid methyl ester;AM84474;SB40724;chloro-difluoro-acetic acid methyl ester;CS-0017970;FT-0623644;EN300-20460;2-chloro-2,2-difluoroacetic acid methyl ester;F11158;Acetic acid,2-chloro-2,2-difluoro-, methyl ester;Q-102552

Chemical Property of Methyl chlorodifluoroacetate

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Refractive Index: n20/D 1.349(lit.)
• Boiling Point: 80 °C at 760 mmHg
• Flash Point: 19.4 °C
• PSA: 26.30000
• Density: 1.391 g/cm³
• LogP: 0.99100
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 143.9789634
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

≥99% ^*data from raw suppliers

Methyl chlorodifluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, C
• Hazard Codes: F,C
• Statements: 11-34-37
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C(F)(F)Cl
• Uses: Methyl chlorodifluoroacetate was used in preparation of 2,2-difluoro-3-hydroxyesters and gem-difluorocyclopropane.

Technology Process of Methyl chlorodifluoroacetate

There total 13 articles about Methyl chlorodifluoroacetate 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: 85.0%

1,2-dichloro-1,1,2-trifluoro-2-methoxyethane (754-28-9) → metyhyl chlorodifluoroacetate (1514-87-0) + 2-chloro-1,1,2,2-tetrafluoro-2-methoxyethane (404582-64-5)

Guidance literature:

With hydrogen fluoride; aluminum(III) fluoride; Carbonyl fluoride; at 200 ℃; for 1h; Further Variations:; Reagents; Temperatures; Product distribution;

DOI:10.1016/S0022-1139(01)00483-3

Reference yield: 67.0%

2-chloro-1,1,2,2-tetrafluoro-2-methoxyethane (404582-64-5) → methylene chloride (74-87-3) + chlorodifluoroacetyl fluoride (354-27-8) + metyhyl chlorodifluoroacetate (1514-87-0)

Guidance literature:

With aluminum(III) fluoride; antimony pentafluoride; at 200 ℃; for 2h;

DOI:10.1016/S0022-1139(02)00321-4

Reference yield: 67.0%

2-chloro-1,1,2,2-tetrafluoro-2-methoxyethane (404582-64-5) → metyhyl chlorodifluoroacetate (1514-87-0)

Guidance literature:

at 200 ℃; for 2h;

upstream raw materials:

Methyl trichloroacetate

methanol

2-chloro-2,2-difluoroacetic acid

chlorodifluoroacetyl fluoride

Downstream raw materials:

α-(Chlordifluormethyl)-α-(trifluormethyl)-benzylalkohol

((Z)-3-Chloro-2,3,3-trifluoro-1-trifluoromethyl-propenyl)-benzene

1-Chlorperfluor-2-phenylpropan-2-ol

<1.1.3.3.-Tetrafluor-1.3-dichlor-2-hydroxy-2-propyl>-benzol