(2E)-4-[methyl(phenyl)amino]-4-oxobut-2-enoic acid

Base Information

Chemical Name:(2E)-4-[methyl(phenyl)amino]-4-oxobut-2-enoic acid
CAS No.:91270-62-1
Molecular Formula:C11H11NO3
Molecular Weight:205.213
Hs Code.:
NSC Number:159918
DSSTox Substance ID:DTXSID601237026

Synonyms:906509-98-6;91270-62-1;3-[methyl(phenyl)carbamoyl]prop-2-enoic acid;(2E)-4-[methyl(phenyl)amino]-4-oxobut-2-enoic acid;(E)-4-(N-methylanilino)-4-oxobut-2-enoic acid;2-Butenoic acid, 4-(methylphenylamino)-4-oxo-, (2E)-;NSC159918;SCHEMBL4022487;SCHEMBL5175922;DTXSID601237026;HMS1715A16;BBL018751;MFCD06356451;STL195332;AKOS001079957;NSC-159918;VS-06755;3-[methyl(phenyl)carbamoyl]prop-2-enoicacid;EN300-09013;4-[methyl(phenyl)amino]-4-oxobut-2-enoic acid;(2E)-4-(Methylphenylamino)-4-oxo-2-butenoic acid;Z56176634;(2E)-3-[METHYL(PHENYL)CARBAMOYL]PROP-2-ENOIC ACID

Suppliers and Price of (2E)-4-[methyl(phenyl)amino]-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

Total 0 raw suppliers

Chemical Property of (2E)-4-[methyl(phenyl)amino]-4-oxobut-2-enoic acid

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.07389321
Heavy Atom Count:15
Complexity:267

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (2E)-4-[methyl(phenyl)amino]-4-oxobut-2-enoic acid

There total 4 articles about (2E)-4-[methyl(phenyl)amino]-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: 97.0%

: 1027101-46-7
(E)-4-(methylphenylamino)-4-oxo-2-butenoic acid ethyl ester

: 91270-62-1
4‐(methyl(phenyl)amino)‐4‐oxobut‐2‐enoic acid

Guidance literature:: With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 - 25 ℃;
DOI:10.3390/MOLECULES25102463

Reference yield:

: 87321-68-4
(E)-4-oxo-4-(phenylamino)-2-butenoic acid ethyl ester

: 91270-62-1
4‐(methyl(phenyl)amino)‐4‐oxobut‐2‐enoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydride / tetrahydrofuran / 16 h / 0 - 80 °C / Inert atmosphere

2: lithium hydroxide monohydrate / tetrahydrofuran; water / 20 - 25 °C

With lithium hydroxide monohydrate; sodium hydride; In tetrahydrofuran; water;
DOI:10.3390/MOLECULES25102463

Reference yield:

: 62-53-3
aniline

: 91270-62-1
4‐(methyl(phenyl)amino)‐4‐oxobut‐2‐enoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 0 - 25 °C

2: sodium hydride / tetrahydrofuran / 16 h / 0 - 80 °C / Inert atmosphere

3: lithium hydroxide monohydrate / tetrahydrofuran; water / 20 - 25 °C

With dmap; lithium hydroxide monohydrate; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; dichloromethane; water;
DOI:10.3390/MOLECULES25102463