5-Bromo-1H-indazole-3-carbonitrile

Base Information

• Chemical Name: 5-Bromo-1H-indazole-3-carbonitrile
• CAS No.: 201227-39-6
• Molecular Formula: C₈H₄BrN₃
• Molecular Weight: 222.044
• Hs Code.: 2933990090
• Mol file: 201227-39-6.mol

Synonyms:5-BROMO-1H-INDAZOLE-3-CARBOXYNITRILE;5-BROMO-1H-INDAZOLE-3-CARBONITRILE;5-BROMO-3-CYANOINDAZOLE;1H-INDAZOLE-3-CARBONITRILE, 5-BROMO-;5-Bromo-3-cyano-1H-indazole;3-Methyl-1H-indazole hydrochloride

Chemical Property of 5-Bromo-1H-indazole-3-carbonitrile

Chemical Property:

• Refractive Index: 1.739
• Boiling Point: 425.268 °C at 760 mmHg
• PKA: 9.61±0.40(Predicted)
• Flash Point: 210.995 °C
• PSA: 52.47000
• Density: 1.852 g/cm³
• LogP: 2.19708
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromo-1H-indazole-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Bromo-1H-indazole-3-carbonitrile

There total 4 articles about 5-Bromo-1H-indazole-3-carbonitrile 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: 91.0%

2-(2-amino-5-bromophenyl)acetonitrile (882855-95-0) → 5-bromo-1H-indazole-3-carbonitrile (201227-39-6)

Guidance literature:

2-(2-amino-5-bromophenyl)acetonitrile; With hydrogenchloride; sodium nitrite; In water; at -50 ℃; for 1h;

With ammonium hydroxide; In water; at -50 - 25 ℃;

DOI:10.1021/acs.jmedchem.5b00352

Reference yield:

2-nitro-benzeneacetonitrile (610-66-2) → 5-bromo-1H-indazole-3-carbonitrile (201227-39-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogen / palladium 10% on activated carbon / acetic acid / 2 h / 20 °C / 1551.49 Torr

2.1: N-Bromosuccinimide / N,N-dimethyl-formamide / 1.5 h / 0 °C

3.1: hydrogenchloride; sodium nitrite / water / 2 h / -50 °C

3.2: 0 °C

With hydrogenchloride; N-Bromosuccinimide; hydrogen; sodium nitrite; palladium 10% on activated carbon; In water; acetic acid; N,N-dimethyl-formamide;

Reference yield:

2-aminophenylacetonitrile (2973-50-4) → 5-bromo-1H-indazole-3-carbonitrile (201227-39-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-Bromosuccinimide / N,N-dimethyl-formamide / 1.5 h / 0 °C

2.1: hydrogenchloride; sodium nitrite / water / 2 h / -50 °C

2.2: 0 °C

With hydrogenchloride; N-Bromosuccinimide; sodium nitrite; In water; N,N-dimethyl-formamide;

upstream raw materials:

2-aminophenylacetonitrile

2-(2-amino-5-bromophenyl)acetonitrile

2-nitro-benzeneacetonitrile

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