1H-Pyrazole-4-carboxylic acid, 3-((methylphenylamino)sulfonyl)-

Base Information

• Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3-((methylphenylamino)sulfonyl)-
• CAS No.: 155144-45-9
• Molecular Formula: C₁₁H₁₁N₃O₄S
• Molecular Weight: 281.292
• DSSTox Substance ID: DTXSID00165820
• Nikkaji Number: J762.290B
• Wikidata: Q83035048
• Mol file: 155144-45-9.mol

Synonyms:155144-45-9;3-((Methylphenylamino)sulfonyl)-1H-pyrazole-4-carboxylic acid;1H-Pyrazole-4-carboxylic acid, 3-((methylphenylamino)sulfonyl)-;3-(N-Methyl-N-phenylsulfamoyl)-1H-pyrazole-4-carboxylic acid;DTXSID00165820;AKOS005934203;LS-128363;BB 0248328;3-(Methylphenylsulfamoyl)-1H-pyrazole-4-carboxylic acid;3-(Methyl-phenyl-sulfamoyl)-1H-pyrazole-4-c arboxylic acid;5-[(methylanilino)sulfonyl]-1H-pyrazole-4-carboxylic acid

Chemical Property of 1H-Pyrazole-4-carboxylic acid, 3-((methylphenylamino)sulfonyl)-

Chemical Property:

• Vapor Pressure: 1.55E-13mmHg at 25°C
• Boiling Point: 563.5°Cat760mmHg
• Flash Point: 294.6°C
• Density: 1.552g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 281.04702701
• Heavy Atom Count: 19
• Complexity: 428

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=NN2)C(=O)O

Technology Process of 1H-Pyrazole-4-carboxylic acid, 3-((methylphenylamino)sulfonyl)-

There total 1 articles about 1H-Pyrazole-4-carboxylic acid, 3-((methylphenylamino)sulfonyl)- 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: 99.0%

ethyl 3-(N-phenyl-N-methyl)sulfamoylpyrazole-4-carboxylate (155144-44-8) → 3-(N-phenyl-N-methyl)sulfamoylpyrazole-4-carboxylic acid (155144-45-9)

Guidance literature:

With potassium hydroxide; for 0.5h; Heating;

DOI:10.1002/jhet.5570310117

Reference yield:

3-(N-phenyl-N-methyl)sulfamoylpyrazole-4-carboxylic acid (155144-45-9) → 5-(Methyl-phenyl-sulfamoyl)-1H-pyrazole-4-carbonyl chloride

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1002/jhet.5570310117

upstream raw materials:

ethyl 3-(N-phenyl-N-methyl)sulfamoylpyrazole-4-carboxylate