1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(3-chlorophenyl)hydrazide

Base Information

• Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(3-chlorophenyl)hydrazide
• CAS No.: 81016-50-4
• Molecular Formula: C11H10 Cl N5 O3
• Molecular Weight: 295.68
• DSSTox Substance ID: DTXSID90230854
• Wikidata: Q83111594
• Mol file: 81016-50-4.mol

Synonyms:81016-50-4;1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(3-chlorophenyl)hydrazide;5-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid 2-(3-chlorophenyl)hydrazide;DTXSID90230854;LS-128352

Chemical Property of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(3-chlorophenyl)hydrazide

Chemical Property:

• Melting Point: 219-221 °C
• Boiling Point: 508.3±50.0 °C(Predicted)
• PKA: 7.77±0.50(Predicted)
• Flash Point: 261.2oC
• PSA: 115.63000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 3.02370
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 295.0472169
• Heavy Atom Count: 20
• Complexity: 378

Purity/Quality:

1H-PYRAZOLE-3-CARBOXYLIC ACID, 5-METHYL-4-NITRO-, 2-(3-CHLOROPHENYL)HY DRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1)C(=O)NNC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Technology Process of 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(3-chlorophenyl)hydrazide

There total 1 articles about 1H-Pyrazole-3-carboxylic acid, 5-methyl-4-nitro-, 2-(3-chlorophenyl)hydrazide 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: 81.0%

2,7-dimethyl-3,8-dinitrodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione (80030-73-5) + m-chlorophenylhydrazine hydrochloride (2312-23-4) → 5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid N'-(3-chloro-phenyl)-hydrazide (81016-50-4)

Guidance literature:

With potassium hydroxide; In methanol; 1.) 1h; 2.) room temp., overnight;

DOI:10.1055/s-1982-29705

Reference yield: 72.0%

5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid N'-(3-chloro-phenyl)-hydrazide (81016-50-4) → 4-Amino-5-methyl-2H-pyrazole-3-carboxylic acid N'-(3-chloro-phenyl)-hydrazide (81016-56-0)

Guidance literature:

With hydrazine; palladium on activated charcoal; In methanol; for 0.0833333h; Heating;

DOI:10.1055/s-1982-29705

Reference yield: 71.0%

trichloromethyl chloroformate (52427-97-1) + 5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid N'-(3-chloro-phenyl)-hydrazide (81016-50-4) → 6-(3-chloro-phenyl)-2-methyl-3-nitro-5,6-dihydro-pyrazolo[1,5-d][1,2,4]triazine-4,7-dione

Guidance literature:

In toluene; for 1h; Heating;

upstream raw materials:

2,7-dimethyl-3,8-dinitrodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione

m-chlorophenylhydrazine hydrochloride

Downstream raw materials:

4-Amino-5-methyl-2H-pyrazole-3-carboxylic acid N'-(3-chloro-phenyl)-hydrazide

6-(3-Chloro-phenylamino)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one

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