3-(Aminomethyl)-1H-indazole

Base Information

• Chemical Name: 3-(Aminomethyl)-1H-indazole
• CAS No.: 806640-37-9
• Molecular Formula: C8H9N3
• Molecular Weight: 147.18
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60598771
• Wikidata: Q82494574
• Mol file: 806640-37-9.mol

Synonyms:3-(Aminomethyl)-1H-indazole;806640-37-9;(1H-INDAZOL-3-YL)METHANAMINE;C-(1H-INDAZOL-3-YL)-METHYLAMINE;2H-indazol-3-ylmethanamine;1H-indazol-3-ylmethanamine;1H-INDAZOLE-3-METHANAMINE;MFCD06738683;1-(1H-indazol-3-yl)methanamine;aminomethylazaindole;3-aminomethylindazole;3-(Aminomethyl)indazole;SCHEMBL702375;DTXSID60598771;1-(2H-Indazol-3-yl)methanamine;GMIODCDIPHWWQY-UHFFFAOYSA-N;CS-D1638;AKOS011593155;AKOS015855078;PB20944;1H-Indazol-3-ylmethanamine, AldrichCPR;DS-10855;SY018527;DB-075696;AM20041193;EN300-866575;A864667;J-510785

Chemical Property of 3-(Aminomethyl)-1H-indazole

Chemical Property:

• Vapor Pressure: 3.93E-05mmHg at 25°C
• Melting Point: 114-116 °C
• Refractive Index: 1.712
• Boiling Point: 352.1°C at 760 mmHg
• PKA: 14.17±0.40(Predicted)
• Flash Point: 193.8°C
• PSA: 54.70000
• Density: 1.278g/cm³
• LogP: 1.72190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.079647300
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

3-(Aminomethyl)-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NN=C2C=C1)CN
• Uses: 3-(Aminomethyl)-1H-indazole is a useful reactant for organic reactions and synthesis.

Technology Process of 3-(Aminomethyl)-1H-indazole

There total 1 articles about 3-(Aminomethyl)-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:

indazole-3-carbonitrile (50264-88-5) → (1H-indazol-3-yl)methanamine (806640-37-9)

Guidance literature:

With hydrogen; nickel; In methanol; at 20 ℃; under 760.051 Torr;

Reference yield: 38.0%

2-(4-((1H-pyrazol-1-yl)methyl)benzyl)-4-chloro-2H-pyrazolo[3,4-d]pyrimidine + (1H-indazol-3-yl)methanamine (806640-37-9) → N-((1H-indazol-3-yl)methyl)-2-(4-((1H-pyrazol-1-yl)methyl)benzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; zinc(II) chloride; at 120 ℃; for 3h;

Reference yield: 35.0%

(1H-indazol-3-yl)methanamine (806640-37-9) + 5-chloro-3-(3,5-dimethylphenyl-sulfonyl)indole-2-carboxylic acid (473257-46-4) → N-((1H-indazol-3-yl)methyl)-5-chloro-3-((3,5-dimethylphenyl)sulfonyl)-1H-indole-2-carboxamide

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 25 ℃; for 12h;

DOI:10.1021/acs.jmedchem.6b01906

upstream raw materials:

indazole-3-carbonitrile

Downstream raw materials:

N-(2,4-dichlorobenzyl)-N'-(1H-indazol-3-ylmethyl)-N,3-dimethyl-4-(phenylsulfonyl)-1H-pyrrole-2,5-dicarboxamide

Refernces