1-Naphthalen-1-YL-1H-indazole

Base Information

• Chemical Name: 1-Naphthalen-1-YL-1H-indazole
• CAS No.: 93326-45-5
• Molecular Formula: C₁₇H₁₂N₂
• Molecular Weight: 244.296
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20463436
• Nikkaji Number: J2.144.930J
• Wikidata: Q82288312
• Mol file: 93326-45-5.mol

Synonyms:93326-45-5;1-NAPHTHALEN-1-YL-1H-INDAZOLE;1-(naphthalen-1-yl)-1H-indazole;1-naphthalen-1-ylindazole;1H-Indazole, 1-(1-naphthalenyl)-;SCHEMBL2188830;DTXSID20463436;AKOS015963767

Chemical Property of 1-Naphthalen-1-YL-1H-indazole

Chemical Property:

• PSA: 17.82000
• LogP: 4.17870
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.100048391
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

1-NAPHTHALEN-1-YL-1H-INDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2N3C4=CC=CC=C4C=N3

Technology Process of 1-Naphthalen-1-YL-1H-indazole

There total 5 articles about 1-Naphthalen-1-YL-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: 97.0%

2-bromobenzaldehyde 1-naphthylhydrazone → 1-(1-naphthalenyl)-1H-indazole (93326-45-5)

Guidance literature:

With potassium phosphate; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 110 ℃; for 12h;

DOI:10.1021/jo048671t

Reference yield:

benzimidazole (271-44-3) + 1-Bromonaphthalene (90-11-9) → 1-(1-naphthalenyl)-1H-indazole (93326-45-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 110 ℃; for 24h; Green chemistry;

DOI:10.1166/jnn.2016.12905

Reference yield:

ortho-bromobenzaldehyde (6630-33-7) → 1-(1-naphthalenyl)-1H-indazole (93326-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / methanol / 0.5 h / Heating

2: 97 percent / K₃PO₄; Pd(dba)2; bis[2-(diphenylphosphino)phenyl] ether / toluene / 12 h / 110 °C

With potassium phosphate; bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In methanol; toluene;

DOI:10.1021/jo048671t

upstream raw materials:

ortho-bromobenzaldehyde

1-(1-naphthyl)hydrazine

benzimidazole

1-Bromonaphthalene