3-(4-Fluorophenyl)-1-P-tolyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 3-(4-Fluorophenyl)-1-P-tolyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 618098-45-6
• Molecular Formula: C17H13FN2O
• Molecular Weight: 280.29600
• DSSTox Substance ID: DTXSID001163756
• Mol file: 618098-45-6.mol

Synonyms:618098-45-6;3-(4-FLUOROPHENYL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE;3-(4-Fluorophenyl)-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde;3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde;3-(4-FLUOROPHENYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE;DTXSID001163756;AKOS009307642;CS-0238942;EN300-202817;Z381383948;3-(4-Fluorophenyl)-1-(4-methylphenyl)-1H-pyrazole-4-carboxaldehyde

Chemical Property of 3-(4-Fluorophenyl)-1-P-tolyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• PSA: 34.89000
• LogP: 3.79930
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 280.10119120
• Heavy Atom Count: 21
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

3-(4-FLUOROPHENYL)-1-PARA-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=O

Technology Process of 3-(4-Fluorophenyl)-1-P-tolyl-1H-pyrazole-4-carbaldehyde

There total 3 articles about 3-(4-Fluorophenyl)-1-P-tolyl-1H-pyrazole-4-carbaldehyde 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:

p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) → 3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carboxaldehyde (618098-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / methanol

2: trichlorophosphate

With acetic acid; trichlorophosphate; In methanol; 2: |Vilsmeier-Haack Formylation;

DOI:10.1002/jhet.4384

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carboxaldehyde (618098-45-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / methanol

2: trichlorophosphate

With acetic acid; trichlorophosphate; In methanol; 2: |Vilsmeier-Haack Formylation;

DOI:10.1002/jhet.4384

Reference yield:

C15H15FN2 + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carboxaldehyde (618098-45-6)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/jhet.4384

upstream raw materials:

N,N-dimethyl-formamide

p-tolylhydrazine hydrochloride

1-(4-fluorophenyl)ethanone