Benzyl 2-fluoro-3-oxobutanoate

Base Information

Chemical Name:Benzyl 2-fluoro-3-oxobutanoate
CAS No.:139101-19-2
Molecular Formula:C11H11FO3
Molecular Weight:210.205
Hs Code.:
DSSTox Substance ID:DTXSID10576847
Nikkaji Number:J462.345B
Mol file:139101-19-2.mol

Synonyms:benzyl 2-fluoro-3-oxobutanoate;139101-19-2;DTXSID10576847

Suppliers and Price of Benzyl 2-fluoro-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
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price

Total 1 raw suppliers

Chemical Property of Benzyl 2-fluoro-3-oxobutanoate

Chemical Property:

PSA：43.37000
LogP:1.65690
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:210.06922237
Heavy Atom Count:15
Complexity:234

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(C(=O)OCC1=CC=CC=C1)F

Technology Process of Benzyl 2-fluoro-3-oxobutanoate

There total 2 articles about Benzyl 2-fluoro-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: 39.0%

: 5396-89-4
benzyl acetoacetate

: 139101-19-2
benzyl 2-fluoro-3-oxobutanoate

: benzyl 2,2-difluoro-3-oxobutanoate

Guidance literature:: With 1-(chloromethyl)-4-fluoro-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate; cyclopentadienyl titanium(IV) trichloride; In acetonitrile; at 20 ℃;
DOI:10.1021/ol0343459

Reference yield:

: 5396-89-4
benzyl acetoacetate

: 139101-19-2
benzyl 2-fluoro-3-oxobutanoate

Guidance literature:: With fluorine; Yield given;
DOI:10.1021/jo00033a058

Reference yield: 90.0%

: 139101-19-2
benzyl 2-fluoro-3-oxobutanoate

: 479423-39-7
4-methylbenzaldehyde N-(tert-butoxycarbonyl)imine

: benzyl 2-(tert-butoxycarbonylamino)(p-tolyl)methyl-2-fluoro-3-oxobutanoate

Guidance literature:: With (S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(diethylamino)-3-(1H-indol-3-yl)propan-2-yl)thiourea; In toluene; at -50 ℃; for 24h;
DOI:10.1002/anie.200903635