2H-Indazole, 4,5,6,7-tetrahydro-2,3-diphenyl-

Base Information

• Chemical Name: 2H-Indazole, 4,5,6,7-tetrahydro-2,3-diphenyl-
• CAS No.: 58413-22-2
• Molecular Formula: C19H18N2
• Molecular Weight: 274.365
• DSSTox Substance ID: DTXSID60482247
• Nikkaji Number: J1.937.683D
• Wikidata: Q82318384
• Mol file: 58413-22-2.mol

Synonyms:2H-Indazole, 4,5,6,7-tetrahydro-2,3-diphenyl-;58413-22-2;DTXSID60482247

Chemical Property of 2H-Indazole, 4,5,6,7-tetrahydro-2,3-diphenyl-

Chemical Property:

• PSA: 17.82000
• LogP: 4.41810
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 274.146998583
• Heavy Atom Count: 21
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NN(C(=C2C1)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 2H-Indazole, 4,5,6,7-tetrahydro-2,3-diphenyl-

There total 12 articles about 2H-Indazole, 4,5,6,7-tetrahydro-2,3-diphenyl- 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: 96.0%

phenylhydrazine (100-63-0) + 2-Benzoylcyclohexanone (3580-38-9) → 2,3-diphenyl-4,5,6,7-tetrahydro-2H-indazole (58413-22-2)

Guidance literature:

With α-Zr(CH3PO3)1.2(O3PC6H4SO3H)0.8; at 40 ℃; for 2h;

DOI:10.1016/j.bmc.2007.03.006

Reference yield: 74.0%

trifluoromethanesulfonic acid 2-phenyl-4,5,6,7-tetrahydro-2H-indazol-3-yl ester + phenylboronic acid (98-80-6) → 2,3-diphenyl-4,5,6,7-tetrahydro-2H-indazole (58413-22-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 100 ℃; for 16h;

DOI:10.1021/jo0477897

Reference yield: 51.0%

phenylhydrazine hydrochloride (59-88-1) + 2-(hydroxy-phenyl-methyl)-cyclohex-2-enone (94348-71-7) → 2,3-diphenyl-4,5,6,7-tetrahydro-2H-indazole (58413-22-2)

Guidance literature:

In 1,2-dichloro-ethane; at 50 - 60 ℃; for 10h;

DOI:10.1016/S0040-4039(03)01648-4

upstream raw materials:

phenylhydrazine

2-Benzoylcyclohexanone

phenylhydrazine hydrochloride

2-(hydroxy-phenyl-methyl)-cyclohex-2-enone

Downstream raw materials:

2,3-diphenyl-2H-indazole