1-Methyl-3-phenyl-1H-indazole

Base Information

• Chemical Name: 1-Methyl-3-phenyl-1H-indazole
• CAS No.: 51093-42-6
• Molecular Formula: C14H12N2
• Molecular Weight: 208.263
• DSSTox Substance ID: DTXSID10511617
• Nikkaji Number: J2.433.219E
• Wikidata: Q82370500
• Mol file: 51093-42-6.mol

Synonyms:1-Methyl-3-phenyl-1H-indazole;1-METHYL-3-PHENYLINDAZOLE;51093-42-6;SCHEMBL822675;DTXSID10511617

Chemical Property of 1-Methyl-3-phenyl-1H-indazole

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3

Technology Process of 1-Methyl-3-phenyl-1H-indazole

There total 58 articles about 1-Methyl-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: 100.0%

3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole (344562-45-4) → 1‐methyl‐3‐phenyl‐1H‐indazole (51093-42-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; Reflux;

DOI:10.1016/j.tet.2009.01.041

Reference yield: 99.0%

N-(2-benzoylphenyl)-N-methyl nitroso aniline → 1‐methyl‐3‐phenyl‐1H‐indazole (51093-42-6)

Guidance literature:

With acetic acid; zinc; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.04.096

Reference yield: 93.0%

1-methyl-1H-indazole (13436-48-1) + bromobenzene (108-86-1,52753-63-6) → 1‐methyl‐3‐phenyl‐1H‐indazole (51093-42-6)

Guidance literature:

With 1,10-Phenanthroline; palladium diacetate; caesium carbonate; In toluene; at 160 ℃; for 48h; Sealed tube;

DOI:10.1039/c3sc50184a

upstream raw materials:

3-phenyl-1H-indazole

methyl iodide

C₁₄H₁₃ClN₂

1-Methyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindazol