Coumarin, 3,4-diamino-

Base Information

• Chemical Name: Coumarin, 3,4-diamino-
• CAS No.: 38464-23-2
• Molecular Formula: C9H8 N2 O2
• Molecular Weight: 176.172
• DSSTox Substance ID: DTXSID60191786
• Nikkaji Number: J67.670E
• Wikidata: Q83064361
• ChEMBL ID: CHEMBL1313117
• Mol file: 38464-23-2.mol

Synonyms:3,4-diaminochromen-2-one;3,4-Diaminocoumarin;38464-23-2;3,4-diamino-2H-chromen-2-one;COUMARIN, 3,4-DIAMINO-;BRN 1640964;3,4-Diamino-2H-1-benzopyran-2-one;Oprea1_034234;MLS000532152;SCHEMBL1230426;CHEMBL1313117;DTXSID60191786;HMS1578A20;HMS2503I12;AKOS006242579;NCGC00245719-01;LS-55149;SMR000137093;AH-262/31957063

Chemical Property of Coumarin, 3,4-diamino-

Chemical Property:

• Vapor Pressure: 2.36E-05mmHg at 25°C
• Boiling Point: 359.6°C at 760 mmHg
• Flash Point: 210.5°C
• Density: 1.373g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)N)N

Technology Process of Coumarin, 3,4-diamino-

There total 3 articles about Coumarin, 3,4-diamino- 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: 65.0%

4-[(1-morpholin-4-yl-2-phenylethylidene)amino]-3-nitro-2H-[1]-benzopyran-2-one → 3,4-diamino-2H-1-benzopyran-2-one (38464-23-2) + 2-benzyl-[1]benzopyrano[3,4-d]imidazol-4(3H)-one

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; water; at 20 ℃;

DOI:10.1002/ejoc.200300109

Reference yield: 60.0%

4-{[2-(4-bromophenyl)-1-morpholinoethylidene]amino}-3-nitro-2H-[1]-benzopyran-2-one → 3,4-diamino-2H-1-benzopyran-2-one (38464-23-2) + 2-(4-bromobenzyl)-[1]benzopyrano[3,4-d]imidazol-4(3H)-one

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; water; at 20 ℃;

DOI:10.1002/ejoc.200300109

Reference yield: 55.0%

4-[(1-morpholin-4-yl-3-phenylpropylidene)amino]-3-nitro-2H-[1]-benzopyran-2-one → 3,4-diamino-2H-1-benzopyran-2-one (38464-23-2) + 2-(2-phenylethyl)-[1]benzopyrano[3,4-d]imidazol-4(3H)-one

Guidance literature:

With sodium tetrahydroborate; palladium on activated charcoal; In methanol; water; at 20 ℃;

DOI:10.1002/ejoc.200300109

Downstream raw materials:

4-(2-hydroxy-3,5-dinitrophenyl)-1,2,5-thiadiazole-3-carboxylic acid

4-(2-Hydroxy-phenyl)-[1,2,5]thiadiazole-3-carboxylic acid dibutylamide

[4-(2-Hydroxy-phenyl)-[1,2,5]thiadiazol-3-yl]-morpholin-4-yl-methanone

[4-(2-Hydroxy-phenyl)-[1,2,5]thiadiazol-3-yl]-pyrrolidin-1-yl-methanone

Refernces