N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide

Base Information

• Chemical Name: N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide
• CAS No.: 125103-56-2
• Molecular Formula: C₁₇H₂₃N₃O
• Molecular Weight: 285.389
• DSSTox Substance ID: DTXSID00154653
• Wikidata: Q83021942
• Mol file: 125103-56-2.mol

Synonyms:125103-56-2;N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide;BRN 4194990;1H-Pyrazole-4-acetamide, N-butyl-3,5-dimethyl-1-phenyl-;N-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;DTXSID00154653;TYEQOPUQTBJCKA-UHFFFAOYSA-N;AKOS017150014;LS-127889

Chemical Property of N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide

Chemical Property:

• Vapor Pressure: 9.22E-10mmHg at 25°C
• Boiling Point: 490.3°C at 760 mmHg
• Flash Point: 250.4°C
• PSA: 50.41000
• Density: 1.08g/cm³
• LogP: 3.78820
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 285.184112366
• Heavy Atom Count: 21
• Complexity: 328

Purity/Quality:

N-BUTYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C

Technology Process of N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide

There total 2 articles about N-Butyl-3,5-dimethyl-1-phenyl-1H-pyrazole-4-acetamide 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: 35.1%

1-phenyl-3,5-dimethylpyrrazole-4-acetyl chloride + N-butylamine (109-73-9,85404-21-3) → N-Butyl-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetamide (125103-56-2)

Guidance literature:

In 1,2-dichloro-ethane; Ambient temperature;

DOI:10.1007/BF00766389

Reference yield:

3,5-dimethyl-1-phenylpyrazol-4-ylacetic acid (32710-88-6) → N-Butyl-2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-acetamide (125103-56-2)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 1,2-dichloro-ethane / 1 h / Heating

2: 35.1 percent / 1,2-dichloro-ethane / Ambient temperature

With thionyl chloride; In 1,2-dichloro-ethane;

DOI:10.1007/BF00766389

upstream raw materials:

N-butylamine

3,5-dimethyl-1-phenylpyrazol-4-ylacetic acid