(Z)-4-(3-methylanilino)-4-oxobut-2-enoic acid

Base Information

• Chemical Name: (Z)-4-(3-methylanilino)-4-oxobut-2-enoic acid
• CAS No.: 42537-50-8
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.213
• NSC Number: 62638
• DSSTox Substance ID: DTXSID30364349
• Nikkaji Number: J1.034.823D
• Mol file: 42537-50-8.mol

Synonyms:42537-50-8;(Z)-4-oxo-4-(m-tolylamino)but-2-enoic acid;(2Z)-4-[(3-methylphenyl)amino]-4-oxobut-2-enoic acid;(2Z)-3-[(3-methylphenyl)carbamoyl]prop-2-enoic acid;F0856-0038;4-Oxo-4-(m-tolylamino)but-2-enoic acid;(Z)-4-(3-methylanilino)-4-oxobut-2-enoic acid;3-m-Tolylcarbamoyl-acrylic acid;NSC62638;SCHEMBL7826715;DTXSID30364349;N-(3-Methylphenyl)maleamidic acid;BBL018855;MFCD00020470;NSC-62638;STL195391;AKOS000272681;VS-06801;CS-0327366;SR-01000202138;SR-01000202138-1

Chemical Property of (Z)-4-(3-methylanilino)-4-oxobut-2-enoic acid

Chemical Property:

• Vapor Pressure: 1.16E-08mmHg at 25°C
• Boiling Point: 444°Cat760mmHg
• Flash Point: 222.3°C
• Density: 1.282g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (Z)-4-(3-methylanilino)-4-oxobut-2-enoic acid

There total 2 articles about (Z)-4-(3-methylanilino)-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: 98.0%

maleic anhydride (108-31-6) + 1-amino-3-methylbenzene (108-44-1) → (Z)-4-oxo-4-(m-tolylamino)but-2-enoic acid (42537-50-8)

Guidance literature:

In benzene; for 0.5h; Ambient temperature;

Reference yield:

→ (Z)-4-oxo-4-(m-tolylamino)but-2-enoic acid (42537-50-8)

Guidance literature:

Maleinsaeureanhydrid, m-Toluidin, Bzl. oder Ae.;

Reference yield: 97.0%

morpholine (110-91-8,99108-56-2) + (Z)-4-oxo-4-(m-tolylamino)but-2-enoic acid (42537-50-8) → (Z)-4-morpholino-4-oxo-N-(m-tolyl)but-2-enamide

Guidance literature:

(Z)-4-oxo-4-(m-tolylamino)but-2-enoic acid; With triethylamine; In tetrahydrofuran; at 20 ℃; for 0.166667h;

With methyl chloroformate; In tetrahydrofuran; for 0.5h;

morpholine; In tetrahydrofuran; for 18h;

upstream raw materials:

maleic anhydride

1-amino-3-methylbenzene

Downstream raw materials:

2-(3-anilino-4-oxo-2-thioxo-thiazolidin-5-yl)-N-m-tolyl-acetamide

(Z)-4-Ethoxy-4-[(E)-m-tolylimino]-but-2-enoic acid methyl ester

(Z)-3-m-Tolylcarbamoyl-acrylic acid ethyl ester

(Z)-4-Ethoxy-4-[(E)-m-tolylimino]-but-2-enoic acid