1,2-Benzenediamine, N-(5-phenyl-1H-pyrazol-3-yl)-

Base Information

• Chemical Name: 1,2-Benzenediamine, N-(5-phenyl-1H-pyrazol-3-yl)-
• CAS No.: 104893-77-8
• Molecular Formula: C15H14N4
• Molecular Weight: 250.303
• DSSTox Substance ID: DTXSID50368602
• Wikidata: Q27192481
• ChEMBL ID: CHEMBL1508190
• Mol file: 104893-77-8.mol

Synonyms:MLS001006552;SMR000349506;N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine;1,2-Benzenediamine, N-(5-phenyl-1H-pyrazol-3-yl)-;104893-77-8;HMS2710G16;2-N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine;N-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine;CHEMBL1508190;BDBM43752;cid_2423957;DTXSID50368602;CHEBI:112377;3-(2-aminoanilino)-5-phenylpyrazole;(2-aminophenyl)-(5-phenyl-1H-pyrazol-3-yl)amine;SR-01000049854;n1-(3-phenyl-1hpyrazol-5-yl)benzene-1,2-diamine;SR-01000049854-1;Q27192481;Z56964629

Chemical Property of 1,2-Benzenediamine, N-(5-phenyl-1H-pyrazol-3-yl)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 250.121846464
• Heavy Atom Count: 19
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=NN2)NC3=CC=CC=C3N

Technology Process of 1,2-Benzenediamine, N-(5-phenyl-1H-pyrazol-3-yl)-

There total 1 articles about 1,2-Benzenediamine, N-(5-phenyl-1H-pyrazol-3-yl)- 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: 75.0%

4-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione (41054-45-9) → N-<5(3)-phenyl-3(5)-pyrazolyl>-1-amino-2-aminobenzene (104893-77-8)

Guidance literature:

With hydrazine; In ethanol; Ambient temperature;

DOI:10.1002/bscb.19850941008

Reference yield: 90.0%

N-<5(3)-phenyl-3(5)-pyrazolyl>-1-amino-2-aminobenzene (104893-77-8) + triethoxymethylbenzene (1663-61-2) → 2-phenyl-1-[3(5)-phenylpyrazol-5(3)-yl]-1H-benzimidazole

Guidance literature:

In xylene; for 2h; Heating;

DOI:10.1002/bscb.19850941008

Reference yield: 85.0%

carbon disulfide (75-15-0,12122-00-8) + N-<5(3)-phenyl-3(5)-pyrazolyl>-1-amino-2-aminobenzene (104893-77-8) → 1-[3(5)-phenylpyrazol-5(3)-yl]benzimidazol-2-thione (156643-02-6)

Guidance literature:

In pyridine; for 20h; Ambient temperature;

upstream raw materials:

4-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione

Downstream raw materials:

1-[3⁽⁵⁾-phenylpyrazol-5⁽³⁾-yl]benzimidazol-2-thione

2-amino-1-(3-phenylpyrazolyl)benzimidazole

2-(N-bromoethyl)amino-1-(3-phenylpyrazolyl)benzimidazole

2-(N-bromoethyl)-1-(3-phenylpyrazolyl)benzimidazole-2-thione

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