1H-Indazol-3-amine

Base Information

• Chemical Name: 1H-Indazol-3-amine
• CAS No.: 874-05-5
• Molecular Formula: C7H7N3
• Molecular Weight: 133.153
• Hs Code.: 29339900
• European Community (EC) Number: 692-411-2
• NSC Number: 44677,348887
• DSSTox Substance ID: DTXSID5061243
• Nikkaji Number: J79.993I
• Wikidata: Q27182567
• ChEMBL ID: CHEMBL1331627
• Mol file: 874-05-5.mol

Synonyms:1H-indazol-3-amine;1H-indazole-3-amine

Chemical Property of 1H-Indazol-3-amine

Chemical Property:

• Vapor Pressure: 7.16E-06mmHg at 25°C
• Melting Point: 156-157 °C
• Refractive Index: 1.78
• Boiling Point: 376.6 °C at 760 mmHg
• PKA: 14.89±0.40(Predicted)
• Flash Point: 209.5 °C
• PSA: 54.70000
• Density: 1.367 g/cm³
• LogP: 1.72630
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

1H-Indazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 34-25-36/37/38-22
• Safety Statements: 26-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NN2)N
• Uses: 1H-Indazol-3-amine is a reagent used in the preparation of indazole derivatives as potential antimicrobial and antitumor agents.

Technology Process of 1H-Indazol-3-amine

There total 1 articles about 1H-Indazol-3-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:

→ 3-aminoindazole (874-05-5) + o-toluidine (95-53-4)

Guidance literature:

With ammonium sulfide;

Reference yield: 94.0%

3-aminoindazole (874-05-5) + 4-amino-o-xylene (95-64-7) → N-(3,4-dimethylphenyl)-1,2,3-benzotriazin-4(3H)-imine

Guidance literature:

With tert.-butylhydroperoxide; iodine; tetra-(n-butyl)ammonium iodide; In propan-1-ol; at 80 ℃; for 12h;

DOI:10.1039/c9gc03567b

Reference yield: 94.0%

n-butyl isonitrile (2769-64-4) + 2-(2-bromoethyl)benzaldehyde (22901-09-3) + 3-aminoindazole (874-05-5) → N-butyl-5,6-dihydroindazolo[3',2':2,3]imidazo[5,1-a]isoquinolin-14-amine

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; at 78 ℃; for 1h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior;

DOI:10.1016/j.tetlet.2020.152101

Downstream raw materials:

2H-indazole

1,2,3-benzotriazin-4(3H)-one

(1H-Indazol-3-yl)-(3-pyrrolidin-1-yl-propyl)-amine

1-(3-Pyrrolidin-1-yl-propyl)-1H-indazol-3-ylamine