Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester

Base Information

Chemical Name:Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester
CAS No.:193410-72-9
Molecular Formula:C13H11FO3
Molecular Weight:234.227
Hs Code.:
DSSTox Substance ID:DTXSID50445422
Wikidata:Q82263810
Mol file:193410-72-9.mol

Synonyms:Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester;193410-72-9;DTXSID50445422;3-oxocyclohex-1-en1-yl 2-fluorobenzoate

Suppliers and Price of Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester

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

Total 2 raw suppliers

Chemical Property of Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:234.06922237
Heavy Atom Count:17
Complexity:349

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=CC(=O)C1)OC(=O)C2=CC=CC=C2F

Technology Process of Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester

There total 1 articles about Benzoic acid, 2-fluoro-, 3-oxo-1-cyclohexen-1-yl ester 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: 88.0%

: 504-02-9
1,3-cylohexanedione

: 393-52-2
2-Fluorobenzoyl chloride

: 193410-72-9
3-oxocyclohex-1-en-1-yl 2-fluorobenzoate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile;
DOI:10.1039/a700375g

Reference yield: 80.0%

: 193410-72-9
3-oxocyclohex-1-en-1-yl 2-fluorobenzoate

: 2-(2-fluorobenzoyl)cyclohexane-1,3-dione

Guidance literature:: With triethylamine; 2-hydroxy-2-methylpropanenitrile; In acetonitrile; at 20 ℃; for 3h;
DOI:10.1007/s10593-018-2198-x

Reference yield:

: 193410-72-9
3-oxocyclohex-1-en-1-yl 2-fluorobenzoate

: 2-(2-fluorobenzoyl)-3-methoxycyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 2-hydroxy-2-methylpropanenitrile; triethylamine / acetonitrile / 3 h / 20 °C

2: diethyl ether / 3 h / 0 - 20 °C

With triethylamine; 2-hydroxy-2-methylpropanenitrile; In diethyl ether; acetonitrile;
DOI:10.1007/s10593-018-2198-x