(E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid

Base Information

Chemical Name:(E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid
CAS No.:35504-85-9
Molecular Formula:C10H7FO3
Molecular Weight:194.162
Hs Code.:
DSSTox Substance ID:DTXSID301253946
Nikkaji Number:J428.998F,J70.092D
ChEMBL ID:CHEMBL1806612
Mol file:35504-85-9.mol

Synonyms:35504-85-9;(E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid;(2E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid;(E)-4-(4-Fluorophenyl)-4-oxo-2-butenoic acid;777-15-1;4-(4-fluorophenyl)-4-oxobut-2-enoic acid;MFCD01656421;Acide (E)4-(4-fluorophenyl)-4-oxo 2-butenique [French];2-BUTENOIC ACID, 4-(4-FLUOROPHENYL)-4-OXO-, (E)-;Acide (E)4-(4-fluorophenyl)-4-oxo 2-butenique;C10H7FO3;Z-4-(4-Fluoro-phenyl)-4-oxo-but-2-enoic acid;4-(4-fluorophenyl)-4-oxo-2-butenoic acid;SCHEMBL6942827;SCHEMBL6942832;CHEMBL1806612;DTXSID301253946;HMS1408A17;C10-H7-F-O3;(E)-3-(4-Fluorobenzoyl)acrylic acid;AKOS000116547;JS-2982;IDI1_007532;NCGC00336255-01;LS-47150;BB 0257011;CS-0157532;EN300-04649;E76973;AB01330698-02;EN300-7355182;trans-4-(4-fluorophenyl)-4-oxo-2-butenoic acid;(2E)-4-(4-Fluorophenyl)-4-oxo-2-butenoic acid;Z-4-(4-FLUORO-PHENYL)-4-OXO-BUT-2-ENOICACID;Z3219847233

Suppliers and Price of (E)-4-(4-fluorophenyl)-4-oxobut-2-enoic 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
Packaging
price

Matrix Scientific
(2E)-4-(4-Fluorophenyl)-4-oxobut-2-enoic acid >97%
500mg
$ 409.00

Total 6 raw suppliers

Chemical Property of (E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid

Chemical Property:

Vapor Pressure:1.97E-05mmHg at 25°C
Boiling Point:347.9°Cat760mmHg
Flash Point:164.2°C
PSA：54.37000
Density:1.325g/cm³
LogP:1.64920
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:194.03792224
Heavy Atom Count:14
Complexity:252

Purity/Quality:

97% ^*data from raw suppliers

(2E)-4-(4-Fluorophenyl)-4-oxobut-2-enoic acid >97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)C=CC(=O)O)F
Isomeric SMILES:C1=CC(=CC=C1C(=O)/C=C/C(=O)O)F

Technology Process of (E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid

There total 8 articles about (E)-4-(4-fluorophenyl)-4-oxobut-2-enoic 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: 90.0%

: 108-31-6
maleic anhydride

: 462-06-6
fluorobenzene

: 35504-85-9
(E) 4-(4-fluorophenyl)-4-oxo-2-butenoic acid

Guidance literature:: maleic anhydride; fluorobenzene; With aluminum (III) chloride; In dichloromethane; at 20 ℃;

With hydrogenchloride; In dichloromethane; water; Cooling with ice;
DOI:10.1016/j.ejmech.2011.04.043

Reference yield: 65.0%

: 403-42-9
1-(4-fluorophenyl)ethanone

: 298-12-4
Glyoxilic acid

: 35504-85-9
(E) 4-(4-fluorophenyl)-4-oxo-2-butenoic acid

Guidance literature:: Glyoxilic acid; With acetic anhydride; ytterbium(III) triflate; at 20 ℃; for 0.166667h;

1-(4-fluorophenyl)ethanone; With acetic acid; In acetic acid; at 140 ℃; for 0.166667h; Microwave irradiation; Sealed tube;
DOI:10.1002/ejoc.201300683