1H-Indazole-6-carboxylic acid

Base Information

• Chemical Name: 1H-Indazole-6-carboxylic acid
• CAS No.: 704-91-6
• Molecular Formula: C8H6N2O2
• Molecular Weight: 162.148
• Hs Code.: 29339980
• European Community (EC) Number: 676-984-6
• ChEMBL ID: CHEMBL4867341
• DSSTox Substance ID: DTXSID30585471
• Nikkaji Number: J3.352.558C
• Wikidata: Q72482812
• Mol file: 704-91-6.mol

Synonyms:1H-Indazole-6-carboxylic acid;704-91-6;1H-indazole-6-carboxylicacid;INDAZOLE-6-CARBOXYLIC ACID;MFCD06804571;2H-indazole-6-carboxylic acid;CHEMBL4867341;6-carboxyindazole;6-indazolecarboxylic acid;SCHEMBL260992;SCHEMBL25401469;AMY9380;DTXSID30585471;DNCVTVVLMRHJCJ-UHFFFAOYSA-N;BCP23453;BDBM50578100;1H-Indazole-6-carboxylic acid, 97%;AKOS000118108;PB18778;PS-5595;SY003903;A9294;CS-0006078;EN300-27462;A836900;J-504688;Z235348199;1H-indazole-6-carboxylic acid

Chemical Property of 1H-Indazole-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 302-307°C
• Refractive Index: 1.743
• Boiling Point: 443.749 °C at 760 mmHg
• PKA: 4.01±0.30(Predicted)
• Flash Point: 222.172 °C
• PSA: 65.98000
• Density: 1.507 g/cm³
• LogP: 1.26110
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.042927438
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

98% ^*data from raw suppliers

1H-Indazole-6-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)NN=C2
• Uses: 1H-Indazole-6-carboxylic Acid is used as a reagent to synthesize azabicyclic aryl amides, which act as α7 nicotinic acetylcholine receptor agonists.

Technology Process of 1H-Indazole-6-carboxylic acid

There total 9 articles about 1H-Indazole-6-carboxylic acid 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: 98.0%

3-(tert-butylthio)diazenyl-4-methylbenzoic acid (478169-77-6) → 1H-indazole-6-carboxylic acid (704-91-6)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmc.2006.09.019

Reference yield: 97.0%

1H-indazole-6-carboxylic acid methyl ester (170487-40-8) → 1H-indazole-6-carboxylic acid (704-91-6)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 16h;

Reference yield: 46.0%

→ 1H-indazole-6-carboxylic acid (704-91-6)

Guidance literature:

upstream raw materials:

3-(tert-butylthio)diazenyl-4-methylbenzoic acid

3-amino-p-toluic acid

1H-indazole-6-carboxylic acid methyl ester

1H-indazole-6-carbonitrile

Downstream raw materials:

1H-indazole-6-carboxylic acid methyl ester

3-amino-1H-indazol-6-carboxylic acid-3-chlorobenzylamide

3-amino-1H-indazole-6-carboxylic acid

Refernces

• 1、 -. "Compounds with higher PKG (protein kinase G) inhibitory activity and preparation method of compounds". . . Retrieved 2016/10/08.
• 2、 -. "NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE4 INHIBITORS". Page/Page column 56. . Retrieved 2016/02/10.