(2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-2-enoic acid

Base Information

Chemical Name:(2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-2-enoic acid
CAS No.:929697-66-5
Molecular Formula:C₁₂H₁₃NO₃
Molecular Weight:219.24
Hs Code.:
DSSTox Substance ID:DTXSID70350221
Wikidata:Q82126048

Synonyms:(E)-4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid;(2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-2-enoic acid;5314-04-5;929697-66-5;2-Butenoic acid, 4-[(3,5-dimethylphenyl)amino]-4-oxo-, (2E)-;ST054924;SCHEMBL7825464;SCHEMBL11437685;DTXSID70350221;CCG-5891;MFCD00175313;STK043350;AKOS000273134;BIM-0016870.P001;CS-0325752;AB00080245-01;SR-01000204173;SR-01000204173-1;(E)-4-(3,5-Dimethylanilino)-4-oxo-2-butenoic acid;Z56176725;(2E)-4-(3,5-dimethylanilino)-4-oxo-2-butenoic acid;(E)-4-((3,5-dimethylphenyl)amino)-4-oxobut-2-enoic acid;(2E)-4-[(3,5-dimethylphenyl)amino]-4-oxobut-2-enoic acid

Suppliers and Price of (2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-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
(E)-4-(3,5-Dimethylanilino)-4-oxo-2-butenoic acid
10g
$ 1170.00

Matrix Scientific
(E)-4-(3,5-Dimethylanilino)-4-oxo-2-butenoic acid
5g
$ 810.00

Matrix Scientific
(E)-4-(3,5-Dimethylanilino)-4-oxo-2-butenoic acid
1g
$ 316.00

Total 1 raw suppliers

Chemical Property of (2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-2-enoic acid

Chemical Property:

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:289

Purity/Quality:

99% ^*data from raw suppliers

(E)-4-(3,5-Dimethylanilino)-4-oxo-2-butenoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of (2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-2-enoic acid

There total 2 articles about (2E)-3-[N-(3,5-dimethylphenyl)carbamoyl]prop-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

: 108-69-0
3,5-dimethylaminoaniline

: 929697-66-5
C₁₂H₁₃NO₃

Guidance literature:: at 20 ℃; for 0.5h;
DOI:10.1016/j.ejmech.2020.112115

Reference yield:

: 108-31-6
maleic anhydride

: 108-69-0
3,5-dimethylaminoaniline

: 1421751-23-6,929697-66-5
(Z)-4-[(3,5-dimethylphenyl)amino]-4-oxobut-2-enoic acid

Guidance literature:: With acetic acid; at 20 ℃; for 0.166667h;
DOI:10.1016/j.tetlet.2015.11.030

Reference yield:

: 1421751-23-6,929697-66-5
(Z)-4-[(3,5-dimethylphenyl)amino]-4-oxobut-2-enoic acid

: 8-benzoyl-10-(3,5-dimethylphenyl)-8,8a,11a,11b-tetrahydro-5H-pyrrolo[3',4':3,4]pyrazolo[5,1-a]isoquinoline-9,11(6H,10H)-dione

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid; sulfuric acid / 0.75 h / 60 °C

2: 1,4-diaza-bicyclo[2.2.2]octane / tetrahydrofuran / 1 h / 60 °C

With 1,4-diaza-bicyclo[2.2.2]octane; sulfuric acid; acetic acid; In tetrahydrofuran;
DOI:10.1016/j.tetlet.2015.11.030