5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid

Base Information

Chemical Name:5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid
CAS No.:109217-31-4
Molecular Formula:C16H13FO4
Molecular Weight:288.2704
Hs Code.:
DSSTox Substance ID:DTXSID90911035
ChEMBL ID:CHEMBL45096

Synonyms:BRN 6733120;5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid;Benzeneacetic acid, 5-(4-fluorobenzoyl)-2-hydroxy-alpha-methyl-;109217-31-4;CHEMBL45096;2-[5-(4-fluorobenzoyl)-2-hydroxyphenyl]propanoic acid;SCHEMBL10781820;DTXSID90911035;LS-28803

Suppliers and Price of 5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid

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 5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid

Chemical Property:

Vapor Pressure:9.84E-11mmHg at 25°C
Boiling Point:497.9°C at 760 mmHg
Flash Point:254.9°C
Density:1.341g/cm³
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:288.07978705
Heavy Atom Count:21
Complexity:390

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)F)O)C(=O)O

Technology Process of 5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid

There total 2 articles about 5-(4-Fluorobenzoyl)-2-hydroxy-alpha-methylbenzeneacetic acid 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: 44.0%

: 403-43-0
4-fluorobenzoyl chloride

: 60779-19-3
Methyl (+/-)-2-(2-Methoxyphenyl)propanoate

: 109217-31-4
2-[5-(4-Fluoro-benzoyl)-2-hydroxy-phenyl]-propionic acid

Guidance literature:: With aluminium trichloride; In dichloromethane; 1.) RT, 15 min, 2.) reflux, 12 h;
DOI:10.1021/jm00392a024

Reference yield:

: 27798-60-3
methyl 2-(2-methoxyphenyl)acetate

: 109217-31-4
2-[5-(4-Fluoro-benzoyl)-2-hydroxy-phenyl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: LDA

2: 44 percent / AlCl₃ / CH₂Cl₂ / 1.) RT, 15 min, 2.) reflux, 12 h

With aluminium trichloride; lithium diisopropyl amide; In dichloromethane;
DOI:10.1021/jm00392a024