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

Base Information

• Chemical Name: 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester
• CAS No.: 91857-70-4
• Molecular Formula: C15H19N3O2
• Molecular Weight: 273.3303
• DSSTox Substance ID: DTXSID80919484
• Wikidata: Q82892009
• Mol file: 91857-70-4.mol

Synonyms:91857-70-4;5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester;Ethyl 4-(dimethylamino)-1-methyl-3-phenyl-1H-pyrazole-5-carboxylate;Ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-5-carboxylate;4-(Dimethylamino)-1-methyl-3-phenyl-5-pyrazolecarboxylic acid ethyl ester;1H-Pyrazole-5-carboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl este;DTXSID80919484;LS-128328

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

Chemical Property:

• Vapor Pressure: 1.27E-07mmHg at 25°C
• Boiling Point: 430.7°C at 760 mmHg
• Flash Point: 214.3°C
• Density: 1.12g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 273.147726857
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=NN1C)C2=CC=CC=C2)N(C)C

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

There total 1 articles about 5-Pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-, ethyl ester 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: 5.7%

dimethyl sulfate (77-78-1) + ethyl 4-amino-5-phenyl-(1H)-pyrazole-3-carboxylate (70015-76-8) → ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate (91857-70-4) + ethyl 4-dimethylamino-5-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate (91857-69-1)

Guidance literature:

With potassium carbonate; In ethanol; for 8h; Heating;

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;

Reference yield:

ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate (91857-70-4) → 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole (91857-54-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 79.5 percent / aq. 10percent sodium hydroxide / methanol / 3 h / Heating

2: 50.2 percent / solid / 0.67 h / 200 °C

With sodium hydroxide; In methanol;

upstream raw materials:

dimethyl sulfate

ethyl 4-amino-5-phenyl-(1H)-pyrazole-3-carboxylate

Downstream raw materials:

4-dimethylamino-3phenyl-1-methyl-(1H)-pyrazole-5-carboxylic acid

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