1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-

Base Information

Chemical Name:1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-
CAS No.:125064-63-3
Molecular Formula:C16H9FO4
Molecular Weight:284.243
Hs Code.:
DSSTox Substance ID:DTXSID50442552
Wikidata:Q82259886
Mol file:125064-63-3.mol

Synonyms:125064-63-3;4-(4-Fluorophenyl)-1-oxo-1H-isochromene-3-carboxylic acid;1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-;4-(4-fluorophenyl)isocoumarin-3-carboxylic acid;SCHEMBL9179444;DTXSID50442552;XKAPHFJOHWYKFR-UHFFFAOYSA-N;AKOS005136341

Suppliers and Price of 1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-

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 4 raw suppliers

Chemical Property of 1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:284.04848693
Heavy Atom Count:21
Complexity:477

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=C(OC2=O)C(=O)O)C3=CC=C(C=C3)F

Technology Process of 1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo-

There total 1 articles about 1H-2-Benzopyran-3-carboxylic acid, 4-(4-fluorophenyl)-1-oxo- 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:

: 125064-62-2
3,3-bis(ethoxycarbonyl)-4-(4-fluorophenyl)-4-hydroxy-3,4-dihydroisocoumarin

: 125064-63-3
4-(4-fluorophenyl)isocoumarin-3-carboxylic acid

Guidance literature:: With hydrogenchloride; In water; acetic acid;

Reference yield:

: 75-31-0
isopropylamine

: 125064-63-3
4-(4-fluorophenyl)isocoumarin-3-carboxylic acid

: 4-(4-fluorophenyl)-2-isopropyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid

Guidance literature:: With hydrogenchloride; In ethanol; water;

Reference yield:

: 125064-63-3
4-(4-fluorophenyl)isocoumarin-3-carboxylic acid

: 1027952-80-2
4-(4-Fluoro-phenyl)-2-methyl-1-oxo-1,2-dihydro-isoquinoline-3-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) 4 N HCl / 1.) MeOH, RT, 2 h, 2.) EtOAc, RT, 2 h

2: (COCl₂)2, DMF / tetrahydrofuran / Ambient temperature

With hydrogenchloride; (COCl₂)2; N,N-dimethyl-formamide; In tetrahydrofuran;
DOI:10.1021/jm00016a014