Diethyl 2-bromo-2-fluoro-malonate

Base Information

Chemical Name:Diethyl 2-bromo-2-fluoro-malonate
CAS No.:756-44-5
Molecular Formula:C7H10BrFO4
Molecular Weight:257.05
Hs Code.:2917190090
DSSTox Substance ID:DTXSID80699779
Wikidata:Q82630808
Mol file:756-44-5.mol

Synonyms:DIETHYL 2-BROMO-2-FLUORO-MALONATE;756-44-5;diethyl 2-bromo-2-fluoropropanedioate;diethyl 2-bromo-2-fluoromalonate;DTXSID80699779;Diethyl bromo(fluoro)propanedioate;MFCD03844747

Suppliers and Price of Diethyl 2-bromo-2-fluoro-malonate

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
DIETHYL-2-BROMO-2-FLUORO-MALONATE 98.00%
5G
$ 1443.75

Total 6 raw suppliers

Chemical Property of Diethyl 2-bromo-2-fluoro-malonate

Chemical Property:

Boiling Point:100-102°C 8mm
PSA：52.60000
LogP:1.17330
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:255.97465
Heavy Atom Count:13
Complexity:189

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL-2-BROMO-2-FLUORO-MALONATE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 34-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)OCC)(F)Br

Technology Process of Diethyl 2-bromo-2-fluoro-malonate

There total 3 articles about Diethyl 2-bromo-2-fluoro-malonate 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: 85.5%

: 685-87-0
Diethyl 2-bromomalonate

: 756-44-5
diethyl bromofluoromalonate

Guidance literature:: Diethyl 2-bromomalonate; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 3h;

With 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate; In tetrahydrofuran; at 0 ℃;
DOI:10.1039/c7ra09727a

Reference yield: 84.9%

: 685-88-1
fluoromalonic acid diethyl ester

: 756-44-5
diethyl bromofluoromalonate

Guidance literature:: With sodium hypobromide; acetic acid; In acetone; at 0 - 20 ℃; for 12h;
DOI:10.1039/c7ra09727a

Reference yield:

: 105-53-3
diethyl malonate

: 756-44-5
diethyl bromofluoromalonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / dimethyl sulfoxide / 2.5 h / 40 °C

1.2: 1.5 h / 40 °C

2.1: sodium hydride / tetrahydrofuran / 3 h / 20 °C

2.2: 0 °C

With sodium hydride; In tetrahydrofuran; dimethyl sulfoxide;
DOI:10.1039/c7ra09727a