5-Chloro-3-phenyl-1H-indazole

Base Information

• Chemical Name: 5-Chloro-3-phenyl-1H-indazole
• CAS No.: 13097-03-5
• Molecular Formula: C₁₃H₉ClN₂
• Molecular Weight: 228.681
• DSSTox Substance ID: DTXSID401307964
• Nikkaji Number: J1.305.492D
• Mol file: 13097-03-5.mol

Synonyms:5-Chloro-3-phenyl-1H-indazole;3-phenyl-5-chloroindazole;3-Phenyl-5-chloro-1H-indazole;SCHEMBL11836042;DTXSID401307964;CCG-34116;AKOS002313513

Chemical Property of 5-Chloro-3-phenyl-1H-indazole

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.0454260
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNC3=C2C=C(C=C3)Cl

Technology Process of 5-Chloro-3-phenyl-1H-indazole

There total 9 articles about 5-Chloro-3-phenyl-1H-indazole 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: 90.0%

benzaldehyde p-toluenesulfonylhydrazone (1666-17-7) + 4-chlorobenzonitrile (100-00-5) → 5-Chloro-3-phenylindazole (13097-03-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 60 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4cc00962b

Reference yield: 82.0%

2-amino-5-chlorobenzophenone oxime (18097-52-4) → 5-Chloro-3-phenylindazole (13097-03-5)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 23 ℃;

DOI:10.15227/orgsyn.088.0033

Reference yield: 74.5%

7-Chlor-5-phenyl-3,1,4-benzoxadiazepin-2(1H)-on (82616-88-4) → 5-Chloro-3-phenylindazole (13097-03-5)

Guidance literature:

for 0.75h; Irradiation;

DOI:10.1002/hlca.19820650317

upstream raw materials:

2-Amino-5-chlorbenzophenon-(Z)-O-(aethoxycarbonyl)oxime

7-Chlor-5-phenyl-3,1,4-benzoxadiazepin-2(1H)-on

N-Benzoyl-2-amino-5-chlorobenzophenone

2-amino-5-chlorobenzophenone oxime

Downstream raw materials:

5-Chlor-3-phenyl-1-(4-methylbenzolsulfonyl)-1H-indazol

5-Chlor-1-(dimethylaminosulfonyl)-3-phenyl-1H-indazol