4-(Methylamino)-4-oxobut-2-enoic acid

Base Information

• Chemical Name: 4-(Methylamino)-4-oxobut-2-enoic acid
• CAS No.: 6936-48-7
• Molecular Formula: C5H7 N O3
• Molecular Weight: 129.115
• Hs Code.: 2924199090
• European Community (EC) Number: 230-062-6
• Wikidata: Q106902952
• Mol file: 6936-48-7.mol

Synonyms:6936-48-7;4-(methylamino)-4-oxobut-2-enoic acid;(Z)-4-(methylamino)-4-oxobut-2-enoic acid;SCHEMBL178479;FT-0636293;D91423

Chemical Property of 4-(Methylamino)-4-oxobut-2-enoic acid

Chemical Property:

• Vapor Pressure: 8.12E-07mmHg at 25°C
• Melting Point: 144-147 °C
• Refractive Index: 1.4220 (estimate)
• Boiling Point: 379.7°C at 760 mmHg
• Flash Point: 183.5°C
• PSA: 66.40000
• Density: 1.3816 (rough estimate)
• LogP: -0.23590
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 129.042593085
• Heavy Atom Count: 9
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Methylmaleamic acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C=CC(=O)O

Technology Process of 4-(Methylamino)-4-oxobut-2-enoic acid

There total 6 articles about 4-(Methylamino)-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: 79.0%

maleic anhydride (108-31-6) + methylamine (74-89-5) → N-methylmaleamic acid (6936-48-7)

Guidance literature:

In diethyl ether; at 20 ℃;

Reference yield:

maleic anhydride (108-31-6) → N-methylmaleamic acid (6936-48-7)

Guidance literature:

With methylamine hydrochloride; sodium acetate; In water;

Reference yield:

maleic anhydride (108-31-6) → N-methylmaleamic acid (6936-48-7)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01226a504

upstream raw materials:

maleic anhydride

methylamine

N-methylmaleimide

Downstream raw materials:

N-methylmaleimide

3-(3,5-Dichloro-4-methyl-benzenesulfonyl)-1-methyl-pyrrolidine-2,5-dione

3-(4-Chloro-benzenesulfonyl)-1-methyl-pyrrolidine-2,5-dione

1-Methyl-3-(toluene-4-sulfonyl)-pyrrolidine-2,5-dione

Refernces

• 1、 Yoshitake, Yasuyuki,Misaka, Junichi,Setoguchi, Koji,Abe, Masaki,Kawaji, Tomohiro,Eto, Masashi,Harano, Kazunobu. "Non-hydroxylic clathrate hosts of [4 + 2]π cycloadducts of phencyclone and N-arylmaleimides: Recognition of aromatic guests". . p. 1611 - 1619. Retrieved 2007/10/03.
• 2、 -. "Process for the conversion of maleic acid derivatives to their corresponding fumaric isomers". . . Retrieved 2008/06/13.