5-Bromo-2-butyl-2H-indazole

Base Information

• Chemical Name: 5-Bromo-2-butyl-2H-indazole
• CAS No.: 1280786-75-5
• Molecular Formula: C₁₁H₁₃BrN₂
• Molecular Weight: 253.142
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40682485
• Wikidata: Q82606887
• Mol file: 1280786-75-5.mol

Synonyms:5-BROMO-2-BUTYL-2H-INDAZOLE;1280786-75-5;5-bromo-2-butylindazole;DTXSID40682485;MFCD18434480;AKOS015898137;BS-20588;5-Bromo-2-butyl-2H-indazole, AldrichCPR;CS-0444118;A889076

Chemical Property of 5-Bromo-2-butyl-2H-indazole

Chemical Property:

• PSA: 17.82000
• LogP: 3.59890
• Storage Temp.: Room temperature.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 252.02621
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

≥95% ^*data from raw suppliers

5-Bromo-2-butyl-2H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C=C2C=C(C=CC2=N1)Br

Technology Process of 5-Bromo-2-butyl-2H-indazole

There total 2 articles about 5-Bromo-2-butyl-2H-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:

C11H13BrN2O2 → 5-bromo-2-butyl-2H-indazole (1280786-75-5)

Guidance literature:

With tributylphosphine; In isopropyl alcohol; at 80 ℃; for 16h; Sealed tube;

DOI:10.1021/ol5012423

Reference yield:

5-bromo-2-nitrobenzaldehyde (20357-20-4) → 5-bromo-2-butyl-2H-indazole (1280786-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: isopropyl alcohol / 4 h / 80 °C / Sealed tube

2: tributylphosphine / isopropyl alcohol / 16 h / 80 °C / Sealed tube

With tributylphosphine; In isopropyl alcohol; 2: |Cadogan-Cameron Wood Cyclization;

DOI:10.1021/ol5012423

upstream raw materials:

5-bromo-2-nitrobenzaldehyde

Refernces