1H-Pyrazole-3-carboxylic acid, 4-(dimethylamino)-5-phenyl-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-(dimethylamino)-5-phenyl-, ethyl ester
• CAS No.: 91857-68-0
• Molecular Formula: C₁₄H₁₇N₃O₂
• Molecular Weight: 259.308
• Mol file: 91857-68-0.mol

Synonyms:1H-Pyrazole-3-carboxylic acid, 4-(dimethylamino)-5-phenyl-, ethyl ester;Ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate;4-(Dimethylamino)-5-phenyl-3-pyrazolecarboxylic acid ethyl ester;3-Pyrazolecarboxylic acid, 4-(dimethylamino)-5-phenyl-, ethyl ester;91857-68-0

Chemical Property of 1H-Pyrazole-3-carboxylic acid, 4-(dimethylamino)-5-phenyl-, ethyl ester

Chemical Property:

• Melting Point: 166 - 167 °C (aq. ethanol)
• Boiling Point: 470.1±45.0 °C(Predicted)
• PSA: 58.22000
• Density: 1.185±0.06 g/cm3(Predicted)
• LogP: 2.31940
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 259.132076794
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N(C)C

Technology Process of 1H-Pyrazole-3-carboxylic acid, 4-(dimethylamino)-5-phenyl-, ethyl ester

There total 1 articles about 1H-Pyrazole-3-carboxylic acid, 4-(dimethylamino)-5-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: 65.9%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethyl 4-amino-5-phenyl-(1H)-pyrazole-3-carboxylate (70015-76-8) → ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate (91857-68-0)

Guidance literature:

With formic acid; water; for 1h; Heating;

Reference yield:

ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate (91857-68-0) → Dimethyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-amine; compound with sulfuric acid (91857-52-2)

Guidance literature:

Multi-step reaction with 2 steps

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

2: solid / 0.67 h / 200 °C

With sodium hydroxide; In methanol;

Reference yield:

ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate (91857-68-0) → Dimethyl-(5-phenyl-1H-pyrazol-4-yl)-amine; hydrochloride

Guidance literature:

Multi-step reaction with 2 steps

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

2: solid / 0.67 h / 200 °C

With sodium hydroxide; In methanol;

upstream raw materials:

formaldehyd

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

Downstream raw materials:

4-Dimethylamino-5-phenyl-1H-pyrazole-3-carboxylic acid

Dimethyl-(1-methyl-5-phenyl-1H-pyrazol-4-yl)-amine; compound with sulfuric acid