1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde
• CAS No.: 36640-48-9
• Molecular Formula: C₁₆H₁₁ClN₂O
• Molecular Weight: 282.729
• European Community (EC) Number: 651-472-5
• DSSTox Substance ID: DTXSID801201633
• ChEMBL ID: CHEMBL4762946
• Mol file: 36640-48-9.mol

Synonyms:1-(4-CHLOROPHENYL)-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE;36640-48-9;1-(4-chlorophenyl)-3-phenyl-pyrazole-4-carbaldehyde;CHEMBL4762946;SCHEMBL11260604;DTXSID801201633;AKOS009307111;1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carboxaldehyde

Chemical Property of 1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 282.0559907
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

1-(4-CHLOROPHENYL)-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=C(C=C3)Cl

Technology Process of 1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde

There total 10 articles about 1-(4-Chlorophenyl)-3-phenyl-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: 91.0%

2-(4-chlorophenyl)-1-(1-phenylethylidene)hydrazine (41019-24-3,143851-18-7) → 1-(4-chlorophenyl)-3-phenyl-1Hpyrazole-4-carboxaldehyde (36640-48-9)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 - 70 ℃; for 3h;

DOI:10.1039/c5ra04995d

Reference yield: 83.0%

5-amino-1-(4-chlorophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde → 5-amino-1-(4-chlorophenyl)-4-nitroso-3-phenylpyrazole + 1-(4-chlorophenyl)-3-phenyl-1Hpyrazole-4-carboxaldehyde (36640-48-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; In methanol; water; for 3h; Cooling with ice; Inert atmosphere;

DOI:10.1016/j.tet.2019.06.048

Reference yield: 81.0%

5-amino-1-(4-chlorophenyl)-3-phenyl-1H-pyrazole-4-carbaldehyde → 1-(4-chlorophenyl)-3-phenyl-1Hpyrazole-4-carboxaldehyde (36640-48-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; In methanol; water; for 3h; Cooling with ice; Inert atmosphere;

DOI:10.1016/j.tet.2019.06.048

upstream raw materials:

N,N-dimethyl-formamide

p-chloroacetophenone phenylhydrazone

2-(4-chlorophenyl)-1-(1-phenylethylidene)hydrazine

4-chlorophenylhydrazine hydrochloride

Downstream raw materials:

N'-[1-(4-chlorophenyl)-(3-phenyl-1H-pyrazol-4-yl)methylene]isonicotinohydrazide

1-{[1-(4-chlorophenyl)-3-phenyl-1Hpyrazol-4-yl]methylene}-2-(4-fluorophenyl)hydrazine

2-(2,4-dinitrophenyl)-1-{[1-(4-chlorophenyl)-3-phenyl-1H-pyrazol-4yl]methylene}hydrazine

1-{[1-(4-chlorophenyl)-3-phenyl-1H-pyrazol-4-yl]-methylene}-2-(2-fluorophenyl)hydrazine