5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-

Base Information

• Chemical Name: 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-
• CAS No.: 91857-85-1
• Molecular Formula: C₁₃H₁₅N₃O₂
• Molecular Weight: 245.281
• DSSTox Substance ID: DTXSID00238720
• Wikidata: Q83120997
• Mol file: 91857-85-1.mol

Synonyms:5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-;91857-85-1;4-(Dimethylamino)-1-methyl-3-phenyl-5-pyrazolecarboxylic acid;1H-Pyrazole-5-carboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-;DTXSID00238720;LS-128326

Chemical Property of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-

Chemical Property:

• Vapor Pressure: 2.34E-08mmHg at 25°C
• Boiling Point: 435.5°Cat760mmHg
• Flash Point: 217.2°C
• Density: 1.2g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 245.116426730
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=N1)C2=CC=CC=C2)N(C)C)C(=O)O

Technology Process of 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-

There total 1 articles about 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl- 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: 79.5%

ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate (91857-70-4) → 4-dimethylamino-3phenyl-1-methyl-(1H)-pyrazole-5-carboxylic acid (91857-85-1)

Guidance literature:

With sodium hydroxide; In methanol; for 3h; Heating;

upstream raw materials:

ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate