5-nitro-1H-indazole-3-carboxylic Acid

Base Information

• Chemical Name: 5-nitro-1H-indazole-3-carboxylic Acid
• CAS No.: 78155-76-7
• Molecular Formula: C8H5 N3 O4
• Molecular Weight: 207.145
• Hs Code.: 2933990090
• European Community (EC) Number: 851-167-9
• DSSTox Substance ID: DTXSID00428008
• Wikidata: Q72494805
• Mol file: 78155-76-7.mol

Synonyms:5-nitro-1H-indazole-3-carboxylic Acid;78155-76-7;5-Nitroindazole-3-carboxylic acid;1H-INDAZOLE-3-CARBOXYLIC ACID, 5-NITRO-;MFCD05663993;5-Nitro-1H-indazole-3-carboxylicacid;Nitroindazolecarboxylic acid;SCHEMBL959264;DTXSID00428008;MLTOGNYOQHDCAN-UHFFFAOYSA-N;BBL021431;STK894144;AKOS005144152;PB32391;AC-29512;AS-33721;SY036719;A9851;AM20041171;CS-0050422;FT-0604117;EN300-30664;5-NITRO-2H-INDAZOLE-3-CARBOXYLIC ACID;5-NITRO-3-(1H)INDAZOLE CARBOXYLIC ACID;Z315923788

Chemical Property of 5-nitro-1H-indazole-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 8.37E-13mmHg at 25°C
• Boiling Point: 547.1°C at 760 mmHg
• Flash Point: 284.7°C
• PSA: 111.80000
• Density: 1.733g/cm³
• LogP: 1.69250
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 207.02800565
• Heavy Atom Count: 15
• Complexity: 290

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Nitro-1H-indazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)C(=O)O

Technology Process of 5-nitro-1H-indazole-3-carboxylic Acid

There total 2 articles about 5-nitro-1H-indazole-3-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: 42.3%

2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide (28284-09-5) → 5-nitro-1H-indazole-3-carboxylic acid (78155-76-7) + 6-(2-amino-5-nitrophenyl)-5-oxo-1,2,4-triazine-3-thione (30962-81-3)

Guidance literature:

With potassium carbonate; In water; for 4h; Heating;

Reference yield:

1H-Indazole-3-carboxylic acid (4498-67-3) → 7-nitro-1(2)H-indazole-3-carboxylic acid (660823-32-5) + 5-nitro-1H-indazole-3-carboxylic acid (78155-76-7)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 20 ℃;

Reference yield: 82.0%

7-nitro-1(2)H-indazole-3-carboxylic acid (660823-32-5) + 5-nitro-1H-indazole-3-carboxylic acid (78155-76-7) + 4-fluoroaniline (371-40-4) → 5-nitro-1H-indazole-3-carboxylic acid (4-fluorophenyl)amide + 7-nitro-1H-indazole-3-carboxylic acid (4-fluorophenyl)amide

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In DMF (N,N-dimethyl-formamide); for 72h;

upstream raw materials:

2-(5-nitro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide

1H-Indazole-3-carboxylic acid

Downstream raw materials:

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

3-ethoxycarbonyl-5-nitro-1H-indazole

5-amino-3-ethoxycarbonyl-1H-indazole

5-nitro-1H-indazole-3-carboxylic acid (4-methylsulphamoylmethylphenyl)-amide

Refernces

• 1、 -. "1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS". Page 70; 84-85. . Retrieved 2010/02/06.