1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanone

Base Information

• Chemical Name: 1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanone
• CAS No.: 925142-81-0
• Molecular Formula: C₁₁H₉ClN₂O
• Molecular Weight: 220.658
• DSSTox Substance ID: DTXSID40586338
• Wikidata: Q82478448
• Mol file: 925142-81-0.mol

Synonyms:925142-81-0;1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanone;1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone;1-(1-(3-Chlorophenyl)-1H-pyrazol-4-yl)ethanone;1-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]ethan-1-one;1-(1-(3-Chlorophenyl)-1H-pyrazol-4-yl)ethan-1-one;SCHEMBL14692465;DTXSID40586338;ZSSJNSCNNBHHQV-UHFFFAOYSA-N;CHEMBRDG-BB 4010479;MFCD08691478;STK487788;AKOS003237464;MCULE-4206702622;DA-18701;LS-01297;CS-0316860;1-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]ethanone, AldrichCPR

Chemical Property of 1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.0403406
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

1-[1-(3-Chlorophenyl)-1H-pyrazol-4-yl]ethanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN(N=C1)C2=CC(=CC=C2)Cl

Technology Process of 1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanone

There total 1 articles about 1-[1-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanone 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:

chlorobenzene (108-90-7) + 1-(1H-pyrazol-4-yl)ethanone (25016-16-4) → 1-(1-(3-chlorophenyl)-1H-pyrazol-4-yl)ethanone (925142-81-0) + 1-(1-(2-chlorophenyl)-1H-pyrazol-4-yl)ethenone (925155-57-3) + 1-(1-(4-chlorophenyl)-1H-pyrazol-4-yl)ethanone (925580-76-3)

Guidance literature:

With C₂₄H₄₂N₃⁽¹⁺⁾*ClO₄^(1-); lithium perchlorate; acetic acid; In acetonitrile; at 20 ℃; for 80h; Overall yield = 55 percent; Overall yield = 48.6 mg; Electrochemical reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201906381

Reference yield:

1-(1-(3-chlorophenyl)-1H-pyrazol-4-yl)ethanone (925142-81-0) → 1-(3-chlorophenyl)-1H-perazole-4-carboxylic acid (1053085-34-9)

Guidance literature:

With sodium hypochlorite; sodium methylate; In methanol; dimethyl sulfoxide; at 20 ℃;

upstream raw materials:

chlorobenzene

1-(1H-pyrazol-4-yl)ethanone

Downstream raw materials:

1-(3-chlorophenyl)-1H-perazole-4-carboxylic acid

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