Methyl 3-fluorobenzoylacetate

Base Information

Chemical Name:Methyl 3-fluorobenzoylacetate
CAS No.:260246-17-1
Molecular Formula:C10H9FO3
Molecular Weight:196.18
Hs Code.:2918300090
European Community (EC) Number:673-459-3
DSSTox Substance ID:DTXSID40374651
Nikkaji Number:J1.225.917D
Wikidata:Q82163251
Mol file:260246-17-1.mol

Synonyms:methyl 3-fluorobenzoylacetate;260246-17-1;methyl 3-(3-fluorophenyl)-3-oxopropanoate;3-(3-Fluoro-phenyl)-3-oxo-propionic acid methyl ester;MFCD03424771;3-(3-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID METHYLESTER;Methyl 3'-fluorobenzoylacetate;methyl3-fluorobenzoylacetate;SCHEMBL2056918;DTXSID40374651;AM878;AB7529;AKOS006276412;FS-5099;SY122677;CS-0302062;FT-0722840;EN300-1126991;3-fluoro-beta-oxo-benzenepropanoic acid methyl ester;J-016224;3-(3-fluorophenyl)-3-oxo-propanoic acid methyl ester;3-Oxo-3-(3-fluorophenyl)propanoic acid methyl ester;Benzenepropanoic acid, 3-fluoro-beta-oxo-, methyl ester

Suppliers and Price of Methyl 3-fluorobenzoylacetate

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

Crysdot
Methyl3-fluorobenzoylacetate 95+%
5g
$ 321.00

Crysdot
Methyl3-fluorobenzoylacetate 95+%
25g
$ 1125.00

Crysdot
Methyl3-fluorobenzoylacetate 95+%
10g
$ 595.00

Apolloscientific
Methyl3-fluorobenzoylacetate 95%
5g
$ 480.00

Apolloscientific
Methyl3-fluorobenzoylacetate 95%
1g
$ 130.00

American Custom Chemicals Corporation
METHYL 3'-FLUOROBENZOYLACETATE 95.00%
0.5G
$ 200.00

Alichem
Methyl3-fluorobenzoylacetate
25g
$ 820.08

Alichem
Methyl3-fluorobenzoylacetate
500g
$ 4596.20

Alichem
Methyl3-fluorobenzoylacetate
100g
$ 1624.08

AK Scientific
Methyl3-fluorobenzoylacetate
5g
$ 937.00

Total 15 raw suppliers

Chemical Property of Methyl 3-fluorobenzoylacetate

Chemical Property:

Boiling Point:83°C/0.15mm
PKA:10.08±0.46(Predicted)
PSA：43.37000
Density:1.213±0.06 g/cm3(Predicted)
LogP:1.57150
Storage Temp.:2-8°C
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:196.05357231
Heavy Atom Count:14
Complexity:227

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-fluorobenzoylacetate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CC(=O)C1=CC(=CC=C1)F

Technology Process of Methyl 3-fluorobenzoylacetate

There total 2 articles about Methyl 3-fluorobenzoylacetate 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: 61.0%

: 616-38-6
carbonic acid dimethyl ester

: 455-36-7
1-(3-fluorophenyl)ethanone

: 260246-17-1
methyl 3-(3-fluororophenyl)-3-oxopropanoate

Guidance literature:: 1-(3-fluorophenyl)ethanone; With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 0.0833333h;

carbonic acid dimethyl ester; In tetrahydrofuran; mineral oil; at 80 ℃; for 4.5h;
DOI:10.1021/acs.jmedchem.9b00962

Reference yield:

: 260246-17-1
methyl 3-(3-fluororophenyl)-3-oxopropanoate

Guidance literature:

Reference yield: 96.0%

: 260246-17-1
methyl 3-(3-fluororophenyl)-3-oxopropanoate

: 1454691-18-9
methyl 3-(3-fluorophenyl)-3-hydroxypropanoate

Guidance literature:: With sodium tetrahydroborate; In methanol; at 0 - 5 ℃; for 1h; regioselective reaction; Inert atmosphere;
DOI:10.1016/j.tetasy.2013.06.004