4-(3,4-Dimethylanilino)-4-oxobut-2-enoic acid

Base Information

Chemical Name:4-(3,4-Dimethylanilino)-4-oxobut-2-enoic acid
CAS No.:198220-55-2
Molecular Formula:C12H13NO3
Molecular Weight:219.24
Hs Code.:
DSSTox Substance ID:DTXSID30298670
Mol file:198220-55-2.mol

Synonyms:198220-55-2;4-(3,4-Dimethylanilino)-4-oxobut-2-enoic acid;3',4'-DIMETHYLMALEANILIC ACID;3-[(3,4-DIMETHYLPHENYL)CARBAMOYL]PROP-2-ENOIC ACID;CBMicro_008303;(2E)-4-[(3,4-Dimethylphenyl)amino]-4-oxobut-2-enoic acid;DTXSID30298670;MFCD00239246

Suppliers and Price of 4-(3,4-Dimethylanilino)-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

Aronis compounds
4-[(3,4-dimethylphenyl)amino]-4-oxo-2-butenoicacid
10mg
$ 20.00

Aronis compounds
4-[(3,4-dimethylphenyl)amino]-4-oxo-2-butenoicacid
1mg
$ 12.00

Total 1 raw suppliers

Chemical Property of 4-(3,4-Dimethylanilino)-4-oxobut-2-enoic acid

Chemical Property:

PSA：66.40000
LogP:1.95570
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:219.08954328
Heavy Atom Count:16
Complexity:299

Purity/Quality:: 4-[(3,4-dimethylphenyl)amino]-4-oxo-2-butenoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)NC(=O)C=CC(=O)O)C

Technology Process of 4-(3,4-Dimethylanilino)-4-oxobut-2-enoic acid

There total 1 articles about 4-(3,4-Dimethylanilino)-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:

: 108-31-6
maleic anhydride

: 95-64-7
4-amino-o-xylene

: 198220-55-2
C₁₂H₁₃NO₃

Guidance literature:: In diethyl ether; at 20 ℃; for 1h;
DOI:10.3762/bjoc.10.62

Reference yield:

: 198220-55-2
C₁₂H₁₃NO₃

: 64059-57-0
1-(3,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Guidance literature:: With sodium acetate; acetic anhydride; at 80 ℃; for 0.5h;
DOI:10.3762/bjoc.10.62

Reference yield:

: 198220-55-2
C₁₂H₁₃NO₃

: 465538-23-2
C₂₉H₂₃NO₅

Guidance literature:: Multi-step reaction with 2 steps

1: sodium acetate / acetic anhydride / 0.5 h / 120 °C / Microwave irradiation

2: dirhodium tetraacetate / 1,2-dichloro-ethane / 80 °C / Molecular sieve; Inert atmosphere

With dirhodium tetraacetate; sodium acetate; In acetic anhydride; 1,2-dichloro-ethane;
DOI:10.1016/j.ejmech.2020.112115