4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid

Base Information Edit

Chemical Name:4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid
CAS No.:80937-23-1
Molecular Formula:C14H16O5
Molecular Weight:236.224
Hs Code.:2918990090
European Community (EC) Number:279-631-0
DSSTox Substance ID:DTXSID101230518
Nikkaji Number:J1.003.809J,J70.091F
Wikidata:Q76386958
ChEMBL ID:CHEMBL4440319
Mol file:80937-23-1.mol

Synonyms:4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid;(E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid;BRN 3137849;(E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid;(2E)-4-(3,4-Dimethoxyphenyl)-4-oxobut-2-enoic acid;EINECS 279-631-0;2-Butenoic acid,4-(3,4-dimethoxyphenyl)-4-oxo-, (2E)-;2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-;4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid;Acide (E)4-(3,4-dimethoxy-phenyl)-4-oxo-2-butenoique [French];4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid;SCHEMBL5585560;SCHEMBL5585564;CHEMBL4440319;QUWWWXPLUJFEHM-GQCTYLIASA-N;DTXSID101230518;AKOS009158258;LS-47127;BB 0218784;CS-0302216;CS-0368944;E86067;EN300-152736;EN300-1709855;3-10-00-04602 (Beilstein Handbook Reference);(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid;Acide (E)4-(3,4-dimethoxy-phenyl)-4-oxo-2-butenoique;Z1245788426;57045-33-7

Suppliers and Price of 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid

Supply Marketing:Edit

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

American Custom Chemicals Corporation
(E)ETHYL 4-(3,4-DIMETHOXYPHENYL)-4-OXO-2-BUTENOATE 95.00%
1G
$ 1321.90

Total 38 raw suppliers

Chemical Property of 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid Edit

Chemical Property:

Vapor Pressure:2.16E-06mmHg at 25°C
Melting Point:87.0-91.0oC
Refractive Index:1.515
Boiling Point:422.1 °C at 760 mmHg
PKA:3.18±0.10(Predicted)
Flash Point:164.1 °C
PSA：61.83000
Density:1.241 g/cm³
LogP:2.00580
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:236.06847348
Heavy Atom Count:17
Complexity:310

Purity/Quality:

98.5%min ^*data from raw suppliers

(E)ETHYL 4-(3,4-DIMETHOXYPHENYL)-4-OXO-2-BUTENOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)C=CC(=O)O)OC
Isomeric SMILES:COC1=C(C=C(C=C1)C(=O)/C=C/C(=O)O)OC

Technology Process of 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid

There total 8 articles about 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic 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: 75.0%

: 298-12-4
Glyoxilic acid

: 1131-62-0
1-(3,4-dimethoxyphenyl)ethanone

: 80937-23-1
4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: With acetic acid; Reflux;
DOI:10.1039/C6RA24953A

Reference yield: 75.0%

: 80937-23-1
4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: With sulfuric acid; acetic acid; at 115 ℃; for 0.5h;

Reference yield: 62.1%

: 108-31-6
maleic anhydride

: 91-16-7
1,2-dimethoxybenzene

: 80937-23-1
4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoic acid

Guidance literature:: maleic anhydride; With aluminum (III) chloride; In chlorobenzene; at 10 ℃;

1,2-dimethoxybenzene; In chlorobenzene; at 10 - 30 ℃; for 48h; Product distribution / selectivity;