3-Phenyl-4,5,6,7-tetrahydro-1h-indazole

Base Information

• Chemical Name: 3-Phenyl-4,5,6,7-tetrahydro-1h-indazole
• CAS No.: 28748-99-4
• Molecular Formula: C13H14 N2
• Molecular Weight: 198.268
• Hs Code.: 2933990090
• European Community (EC) Number: 249-195-6
• DSSTox Substance ID: DTXSID70182928
• Nikkaji Number: J286.448G
• Wikidata: Q83053652
• Mol file: 28748-99-4.mol

Synonyms:3-phenyl-4,5,6,7-tetrahydro-1h-indazole;28748-99-4;4,5,6,7-Tetrahydro-3-phenyl-1H-indazole;EINECS 249-195-6;SCHEMBL11622018;DTXSID70182928;MFCD22374930;STL389416;3-phenyl-4,5,6,7-tetrahydroindazole;AKOS015831348;CCG-313798;LS-06726;3-phenyl-4,5,6,7-tetrahydro-2H-indazol;F2198-6823

Chemical Property of 3-Phenyl-4,5,6,7-tetrahydro-1h-indazole

Chemical Property:

• Vapor Pressure: 2.98E-07mmHg at 25°C
• Boiling Point: 431.6°Cat760mmHg
• Flash Point: 205°C
• PSA: 28.68000
• Density: 1.145g/cm³
• LogP: 2.95550
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.115698455
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

3-Phenyl-4,5,6,7-tetrahydro-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=NN2)C3=CC=CC=C3

Technology Process of 3-Phenyl-4,5,6,7-tetrahydro-1h-indazole

There total 10 articles about 3-Phenyl-4,5,6,7-tetrahydro-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: 77.0%

N-(2'-cyano-1'-oxoethyl)-1H-cyclohexanone hydrazone (4974-50-9) + benzaldehyde (100-52-7) → 3-phenyl-4,5,6,7-tetrahydro-1H-indazole (28748-99-4)

Guidance literature:

With triethylamine; In ethanol; for 3h; Heating;

DOI:10.1515/znb-1998-0417

Reference yield: 69.0%

2-Benzylidenecyclohexanone (5682-83-7) → 3-phenyl-4,5,6,7-tetrahydro-1H-indazole (28748-99-4)

Guidance literature:

With tetrabutylammomium bromide; toluene-4-sulfonic acid hydrazide; sodium hydroxide; In water; at 80 ℃; for 10h; Air atmosphere;

DOI:10.1016/j.tet.2011.09.074

Reference yield: 35.0%

2-Benzoylcyclohexanone (3580-38-9) → 3-phenyl-4,5,6,7-tetrahydro-1H-indazole (28748-99-4)

Guidance literature:

With hydrazine hydrate; In acetic acid; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2014.01.052

upstream raw materials:

2-Benzoylcyclohexanone

4-cyclohexen-1-ylmorpholine

benzoyl chloride

N-(2'-cyano-1'-oxoethyl)-1H-cyclohexanone hydrazone

Downstream raw materials:

C₁₉H₁₉N₃O₂S

C₁₇H₁₅N₃O₂S

N,N-dimethyl-2-(3-phenyl-4,5,6,7-tetrahydro-indazol-1-yl)-propionamide

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