4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid

Base Information

• Chemical Name: 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid
• CAS No.: 35675-41-3
• Molecular Formula: C₂₁H₁₈N₂O₆
• Molecular Weight: 394.384
• European Community (EC) Number: 635-242-1
• DSSTox Substance ID: DTXSID301103642
• Nikkaji Number: J23.131B
• ChEMBL ID: CHEMBL514860
• Mol file: 35675-41-3.mol

Synonyms:4-(4-{4-[(3-carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid;35675-41-3;(E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid;6330-01-4;MLS000850663;CHEMBL514860;SCHEMBL13381201;DTXSID301103642;HMS2792F07;CCG-40740;AKOS024431049;SMR000456680;SR-01000630863-1;N,N'-[Methylenebis(4,1-phenylene)]dimaleamidic acid;(2E)-4-[4-(4-{[(2E)-3-carboxy-2-propenoyl]amino}benzyl)anilino]-4-oxo-2-butenoic acid

Chemical Property of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 394.11648630
• Heavy Atom Count: 29
• Complexity: 600

Purity/Quality:

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

4,4'-METHYLENEBIS(MALEANILIC ACID) AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O
• Isomeric SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O

Technology Process of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid

There total 1 articles about 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-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:

maleic anhydride (108-31-6) + 4,4'-diamino diphenyl methane (101-77-9) → C21H18N2O6 (35675-41-3)

Guidance literature:

at 0 - 5 ℃;

DOI:10.1007/s11164-012-0606-x

Reference yield:

C21H18N2O6 (35675-41-3) → 1,1'-(methylenedi-4,1-phenylene)bismaleimide (13676-54-5,35325-39-4)

Guidance literature:

With nickel diacetate; acetic anhydride; triethylamine; for 5h; Reflux;

DOI:10.1002/kin.21310

upstream raw materials:

maleic anhydride

4,4'-diamino diphenyl methane

Downstream raw materials:

1,1'-(methylenedi-4,1-phenylene)bismaleimide