Methyl 4,4-difluoro-3-oxobutanoate

Base Information

Chemical Name:Methyl 4,4-difluoro-3-oxobutanoate
CAS No.:89129-66-8
Molecular Formula:C5H6 F2 O3
Molecular Weight:152.098
Hs Code.:2918300090
DSSTox Substance ID:DTXSID80525024
Nikkaji Number:J2.693.429J
Wikidata:Q72463591
Mol file:89129-66-8.mol

Synonyms:methyl 4,4-difluoro-3-oxobutanoate;89129-66-8;Methyl-4,4-difluoroacetoacetate (MeDFAA);Methyl-4,4-difluoroacetoacetate;4,4-Difluoro-3-oxobutyric acid methyl ester;Butanoic acid, 4,4-difluoro-3-oxo-, methyl ester;SCHEMBL1366210;DTXSID80525024;methyl4,4-difluoro-3-oxobutanoate;AMY15560;Methyl 4,4-difluoro-3-oxobutyrate;AKOS005063503;CS-0458620;EN300-112409;J-522677

Suppliers and Price of Methyl 4,4-difluoro-3-oxobutanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4,4-DIFLUORO-3-OXOBUTYRIC ACID METHYL ESTER 95.00%
5MG
$ 505.09

Total 15 raw suppliers

Chemical Property of Methyl 4,4-difluoro-3-oxobutanoate

Chemical Property:

Vapor Pressure:4.448mmHg at 25°C
Boiling Point:147.327°C at 760 mmHg
PKA:8.59±0.46(Predicted)
Flash Point:42.452°C
PSA：43.37000
Density:1.237g/cm³
LogP:0.38370
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:152.02850037
Heavy Atom Count:10
Complexity:144

Purity/Quality:

99% ^*data from raw suppliers

4,4-DIFLUORO-3-OXOBUTYRIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CC(=O)C(F)F
Uses Methyl 4,4-difluoro-3-oxobutanoate is an useful building block reagent in the preparation of organic compounds of research interest.

Technology Process of Methyl 4,4-difluoro-3-oxobutanoate

There total 1 articles about Methyl 4,4-difluoro-3-oxobutanoate 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:

: 667-50-5
Difluoroacetic acid N,N-dimethylamide

: 124-41-4
sodium methylate

: 141-78-6
ethyl acetate

: 352-24-9
ethyl 4,4-difluoro-3-oxobutyrate

: 89129-66-8
4,4-difluoro-3-oxo-butanoic acid methyl ester

Guidance literature:: Difluoroacetic acid N,N-dimethylamide; sodium methylate; ethyl acetate; In methanol; at 60 ℃; for 3h; Heating / reflux;

With hydrogenchloride; In methanol; water; at 0 ℃;

Reference yield: 90.0%

: 55368-42-8
4-bromobenzamidine hydrochloride

: 89129-66-8
4,4-difluoro-3-oxo-butanoic acid methyl ester

: 1370334-05-6
2-(4-bromophenyl)-6-difluoromethylpyrimidin-4-one

Guidance literature:: 4-bromobenzamidine hydrochloride; With sodium methylate; In methanol; at 20 ℃;

4,4-difluoro-3-oxo-butanoic acid methyl ester; With sodium methylate; In methanol; at 20 - 60 ℃;
DOI:10.1016/j.bmc.2012.02.006