5-(4-Chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide

Base Information

• Chemical Name: 5-(4-Chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
• CAS No.: 885269-72-7
• Molecular Formula: C₁₆H₁₃ClFN₃O
• Molecular Weight: 317.75
• DSSTox Substance ID: DTXSID80699456
• Mol file: 885269-72-7.mol

Synonyms:885269-72-7;5-(4-CHLOROPHENYL)-3-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE;DTXSID80699456

Chemical Property of 5-(4-Chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide

Chemical Property:

• PSA: 59.68000
• LogP: 3.59620
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.0731179
• Heavy Atom Count: 22
• Complexity: 443

Purity/Quality:

5-(4-CHLOROPHENYL)-3-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC=C(C=C2)F)C(=O)N)C3=CC=C(C=C3)Cl

Technology Process of 5-(4-Chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide

There total 2 articles about 5-(4-Chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide 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:

3-(4-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (28081-12-1) + semicarbazide hydrochloride (563-41-7) → 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydropyrazole-1-carboxamide (885269-72-7)

Guidance literature:

With sodium hydroxide; In ethanol; Reflux;

DOI:10.1016/j.saa.2015.07.041

Reference yield:

4-chlorobenzaldehyde (104-88-1) + 1-(4-fluorophenyl)ethanone (403-42-9) → 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydropyrazole-1-carboxamide (885269-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol / 20 °C

2: sodium hydroxide / ethanol / Reflux

With sodium hydroxide; In ethanol; 1: |Claisen-Schmidt Condensation;

DOI:10.1016/j.saa.2015.07.041

upstream raw materials:

3-(4-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

semicarbazide hydrochloride

4-chlorobenzaldehyde

1-(4-fluorophenyl)ethanone