3-(3-Bromophenyl)-4-(chloromethyl)-1-phenylpyrazole

Base Information

• Chemical Name: 3-(3-Bromophenyl)-4-(chloromethyl)-1-phenylpyrazole
• CAS No.: 372190-28-8
• Molecular Formula: C16H12BrClN2
• Molecular Weight: 347.642
• DSSTox Substance ID: DTXSID90368060
• Wikidata: Q82154348
• Mol file: 372190-28-8.mol

Synonyms:372190-28-8;T0503-6788;DTXSID90368060;AKOS001010386

Chemical Property of 3-(3-Bromophenyl)-4-(chloromethyl)-1-phenylpyrazole

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 345.98724
• Heavy Atom Count: 20
• Complexity: 309

Purity/Quality:

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(=CC=C3)Br)CCl

Technology Process of 3-(3-Bromophenyl)-4-(chloromethyl)-1-phenylpyrazole

There total 2 articles about 3-(3-Bromophenyl)-4-(chloromethyl)-1-phenylpyrazole 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: 85.0%

[3-(3-bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]-methanol (372190-36-8) → 3-(3-bromo-phenyl)-4-chloromethyl-1-phenyl-1H-pyrazole (372190-28-8)

Guidance literature:

With thionyl chloride; In benzene; for 2h; Heating;

DOI:10.1023/A:1016346528487

Reference yield:

3-(3-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde → 3-(3-bromo-phenyl)-4-chloromethyl-1-phenyl-1H-pyrazole (372190-28-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / sodium tetrahydridoborate / ethanol / 1 h

2: 85 percent / thionyl chloride / benzene / 2 h / Heating

With sodium tetrahydroborate; thionyl chloride; In ethanol; benzene;

DOI:10.1023/A:1016346528487

Reference yield: 96.0%

potassium phtalimide (1074-82-4) + 3-(3-bromo-phenyl)-4-chloromethyl-1-phenyl-1H-pyrazole (372190-28-8) → 2-[3-(3-bromo-phenyl)-1-phenyl-1H-pyrazol-4-ylmethyl]-isoindole-1,3-dione

Guidance literature:

In N,N-dimethyl-formamide; for 3h; Heating;

DOI:10.1007/s11178-005-0150-x

upstream raw materials:

[3-(3-bromo-phenyl)-1-phenyl-1H-pyrazol-4-yl]-methanol

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