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

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol
• CAS No.: 36640-39-8
• Molecular Formula: C16H13 Cl N2 O
• Molecular Weight: 284.745
• Hs Code.: 2933199090
• European Community (EC) Number: 253-145-9
• DSSTox Substance ID: DTXSID90190106
• Nikkaji Number: J332.331E
• Wikidata: Q83062381
• ChEMBL ID: CHEMBL4206841
• Mol file: 36640-39-8.mol

Synonyms:36640-39-8;(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol;3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol;[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol;[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol;EINECS 253-145-9;Cambridge id 5916616;CHEMBL4206841;SCHEMBL11247643;DTXSID90190106;CCG-18789;MFCD01909761;AKOS022184476;BS-36697;CS-0308476;EU-0075753;FT-0769853;EN300-12187;AB00100718-01;SR-01000469712;4-hydroxymethyl-1-phenyl-3-(p-chloropheny)-pyrazol;SR-01000469712-1;4-hydroxymethyl-1-phenyl-3-(p-chlorophenyl)-pyrazol;Z56787554

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

Chemical Property:

• Vapor Pressure: 3.9E-10mmHg at 25°C
• Boiling Point: 482.9°Cat760mmHg
• Flash Point: 245.8°C
• PSA: 38.05000
• Density: 1.25g/cm³
• LogP: 3.68500
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 284.0716407
• Heavy Atom Count: 20
• Complexity: 301

Purity/Quality:

98% ^*data from raw suppliers

(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CO

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

There total 9 articles about 3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol 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: 100.0%

1-phenyl-3-(4-chlorophenyl)-4-pyrazolecarboxaldehyde (36663-00-0) → 4-hydroxy-methyl-1-phenyl-3-(p-chlorophenyl)-pyrazol (36640-39-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1.75h;

DOI:10.1055/s-2004-832809

Reference yield:

para-chloroacetophenone (99-91-2) → 4-hydroxy-methyl-1-phenyl-3-(p-chlorophenyl)-pyrazol (36640-39-8)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 25 °C

1.2: dimethylformamide / 16 h / 20 °C

2.1: aq. Na₂CO₃

3.1: 100 percent / LiAlH₄ / tetrahydrofuran / 1.75 h

With lithium aluminium tetrahydride; sodium carbonate; In tetrahydrofuran;

DOI:10.1055/s-2004-832809

Reference yield:

p-chloroacetophenone phenylhydrazone (57845-08-6) → 4-hydroxy-methyl-1-phenyl-3-(p-chlorophenyl)-pyrazol (36640-39-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 25 °C

1.2: dimethylformamide / 16 h / 20 °C

2.1: aq. Na₂CO₃

3.1: 100 percent / LiAlH₄ / tetrahydrofuran / 1.75 h

With lithium aluminium tetrahydride; sodium carbonate; In tetrahydrofuran;

DOI:10.1055/s-2004-832809

upstream raw materials:

1-phenyl-3-(4-chlorophenyl)-4-pyrazolecarboxaldehyde

para-chloroacetophenone

phenylhydrazine

p-chloroacetophenone phenylhydrazone

Downstream raw materials:

4-(chloromethyl)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole

1-phenyl-3-(p-chlorophenyl)-pyrazol-4-acetonitrile

lonazolac

1-phenyl-3-(4-chlorophenyl)-4-pyrazolecarboxaldehyde