Fumaranilic acid

Base Information

• Chemical Name: Fumaranilic acid
• CAS No.: 4437-08-5
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.186
• European Community (EC) Number: 253-707-3
• NSC Number: 400304,163935
• UNII: GU3Y58DZ22
• DSSTox Substance ID: DTXSID101334221
• Nikkaji Number: J261.265H
• ChEMBL ID: CHEMBL346869
• Mol file: 4437-08-5.mol

Synonyms:Fumaranilic acid;37902-58-2;4-Oxo-4-phenylamino-2-butenoic acid;4-Oxo-4-(phenylamino)but-2-enoic acid;3-Phenylcarbamoyl-acrylic acid;CHEMBL346869;GU3Y58DZ22;4437-08-5;(E)-4-oxo-4-(phenylamino)but-2-enoic acid;4-Anilino-4-oxo-2-butenoic acid;NSC400304;NSC-163935;NSC-400304;(2E)-4-Oxo-4-(phenylamino)-2-butenoic acid;(2E)-4-oxo-4-(phenylamino)but-2-enoic acid;(E)-4-anilino-4-oxobut-2-enoic acid;fumaranilic;EINECS 253-707-3;UNII-GU3Y58DZ22;SCHEMBL1683255;SCHEMBL2831352;FUMARAMIC ACID, N-PHENYL-;WHZLCOICKHIPRL-VOTSOKGWSA-N;DTXSID101334221;HMS1531N13;BBL018691;BDBM50136863;CCG-56177;NSC163935;STK723974;AKOS001469036;4-Oxo-4-(phenylamino)but-2-enoicacid;NSC 163935;NSC 400304;(2E)-4-anilino-4-oxobut-2-enoic acid;(E)-4-anilino-4-oxo-but-2-enoic acid;VS-06728;(2E)-3-(phenylcarbamoyl)prop-2-enoic acid;CS-0327518;A823927;2-Butenoic acid, 4-oxo-4-(phenylamino)-, (2E)-;J-640271;J-800263;SR-01000645151-1;Z56176633;2-BUTENOIC ACID, 4-OXO-4-(PHENYLAMINO)-, (E)-

Chemical Property of Fumaranilic acid

Chemical Property:

• Boiling Point: 442.1°Cat760mmHg
• Flash Point: 221.1°C
• Density: 1.329g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Fumaranilic acid

There total 19 articles about Fumaranilic 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: 100.0%

maleic anhydride (108-31-6) + aniline (62-53-3) → N-phenylmaleamic acid (555-59-9,4437-08-5,37902-58-2)

Guidance literature:

In diethyl ether;

DOI:10.1021/jp9905474

Reference yield: 99.0%

(E)-4-oxo-4-(phenylamino)-2-butenoic acid ethyl ester (87321-68-4) → (E)-4-oxo-4-(phenylamino)-2-butenoic acid (4437-08-5)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 - 25 ℃;

DOI:10.3390/MOLECULES25102463

Reference yield:

maleic anhydride (108-31-6) + aniline (62-53-3) → N-phenyl-maleimide (941-69-5) + N-phenylmaleamic acid (555-59-9,4437-08-5,37902-58-2)

Guidance literature:

With zirconium(IV) bis(monohydrogenphosphate); In ethylbenzene; at 80 - 140 ℃;

upstream raw materials:

maleic anhydride

aniline

N-phenyl-maleimide

maleic acid

Downstream raw materials:

N-phenyl-maleamic acid methyl ester

ethyl (Z)-4-oxo-4-(phenylamino)but-2-enoate

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

N-phenylisomaleimide