3-Chloro-1H-indazol-7-amine

Base Information

• Chemical Name: 3-Chloro-1H-indazol-7-amine
• CAS No.: 316810-88-5
• Molecular Formula: C₇H₆ClN₃
• Molecular Weight: 167.598
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID501310512
• Mol file: 316810-88-5.mol

Synonyms:3-Chloro-1H-indazol-7-amine;316810-88-5;3-chloro-2H-indazol-7-amine;7-AMINO-3-CHLORO-1H-INDAZOLE;1H-INDAZOL-7-AMINE,3-CHLORO;3-Chloro-1H-indazol-7-ylamine;DTXSID501310512;MFCD11617130;AKOS006319174;PB16405;AS-50816;CS-0051422;P11178;A875832;J-512166

Chemical Property of 3-Chloro-1H-indazol-7-amine

Chemical Property:

• Boiling Point: 408.7±25.0 °C(Predicted)
• PKA: 12.83±0.40(Predicted)
• PSA: 54.70000
• Density: 1.533±0.06 g/cm3(Predicted)
• LogP: 2.37970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.0250249
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

7-Amino-3-chloro-1H-indazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C(=C1)N)Cl

Technology Process of 3-Chloro-1H-indazol-7-amine

There total 3 articles about 3-Chloro-1H-indazol-7-amine 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%

3-chloro-7-nitro-1H-indazole (74209-33-9) → 7-amino-3-chloroindazole (316810-88-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

Reference yield:

7-Nitroindazole (2942-42-9) → 7-amino-3-chloroindazole (316810-88-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / aq. sodium hydroxide; sodium hypochlorite / methanol / 1 h / Heating

2: H₂ / Pd/C / methanol / 760 Torr

With sodium hydroxide; sodium hypochlorite; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/j.bmc.2005.09.037

Reference yield:

2-Methyl-6-nitroaniline (570-24-1) → 7-amino-3-chloroindazole (316810-88-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / NaNO₂; AcOH

2: Cl₂ / acetic acid / 5 h

3: 91 percent / H₂ / Pd/C / ethanol

With hydrogen; chlorine; acetic acid; sodium nitrite; palladium on activated charcoal; In ethanol; acetic acid; 1: Cyclization / 2: Chlorination / 3: Catalytic hydrogenation;

upstream raw materials:

3-chloro-7-nitro-1H-indazole

7-Nitroindazole

2-Methyl-6-nitroaniline

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