1-(4-Chlorophenyl)-1H-pyrazol-3-ol

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-1H-pyrazol-3-ol
• CAS No.: 76205-19-1
• Molecular Formula: C9H7ClN2O
• Molecular Weight: 194.62
• Hs Code.: 2933199090
• European Community (EC) Number: 616-307-3
• DSSTox Substance ID: DTXSID10463329
• Nikkaji Number: J2.926.294B
• Wikidata: Q72457443
• Mol file: 76205-19-1.mol

Synonyms:1-(4-Chlorophenyl)-1H-pyrazol-3-ol;76205-19-1;1-(4-Chlorophenyl)pyrazol-3(2H)-one;3H-Pyrazol-3-one, 1-(4-chlorophenyl)-1,2-dihydro-;1-(4-Chlorophenyl)-3-hydroxy-1H-pyrazole;1-(4-Chlorophenyl)-3-hydroxypyrazole;1-(4-chlorophenyl)-1,2-dihydro-3H-Pyrazol-3-one;2-(4-chlorophenyl)-1H-pyrazol-5-one;1-(4-Chlorophenyl)-1H-pyrazole-3-ol;1-(para-chlorophenyl)-3-hydroxypyrazole;SCHEMBL482570;1-(4-chlorophenyl)pyrazol-3-ol;AMY4104;DTXSID10463329;DRENHOMDLNJDOG-UHFFFAOYSA-N;BDA20519;CX1217;MFCD08459260;MFCD11215309;AKOS006291475;AKOS016007857;CS-W021232;DS-4432;1-(4-chlorophenyl)-3-hydroxy-pyrazole;SY033515;FT-0715172;EN300-6732030;1-(4-chloro-phenyl)-1,2-dihydro-pyrazol-3-one;1-(4-chlorophenyl)-2,3-dihydro-1H-pyrazol-3-one;1-(4-Chlorophenyl)-1,2-dihydro-3H-pyrazol-3-one;1-(4-Chlorophenyl)-1,2-dihydropyrazol-3-one;1-(4-Chlorophenyl)-2H-pyrazolin-3-one;1-(4-Chlorophenyl)pyrazol-3-ol

Chemical Property of 1-(4-Chlorophenyl)-1H-pyrazol-3-ol

Chemical Property:

• Melting Point: 190-192oC
• PKA: 7.98±0.70(Predicted)
• PSA: 38.05000
• Density: 1.373
• LogP: 2.23130
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

99.5% ^*data from raw suppliers

1-(4-Chlorophenyl)-1,2-dihydro-3H-pyrazol-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N2C=CC(=O)N2)Cl
• Uses: 1-(4-Chlorophenyl)-1,2-dihydro-3H-pyrazol-3-one is also used in the synthesis of antifungal, oxazolidinon-based strobilurin analogues. Also used in the preparation of heterologous haptens for the synthesis of high-affinity anti-pyraclostrobin antibody generation.

Technology Process of 1-(4-Chlorophenyl)-1H-pyrazol-3-ol

There total 32 articles about 1-(4-Chlorophenyl)-1H-pyrazol-3-ol 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: 99.7%

1-(4-chlorophenyl)-3-pyrazolidinone (6119-12-6) → 1-(para-chlorophenyl)-3-hydroxypyrazole (76205-19-1)

Guidance literature:

With iron(III) chloride; acetic acid; at 50 ℃; for 4h; Reagent/catalyst; Temperature;

Reference yield: 97.0%

1-Chloro-4-iodobenzene (637-87-6) + 3-hydroxy pyrazole (137-45-1) → 1-(para-chlorophenyl)-3-hydroxypyrazole (76205-19-1)

Guidance literature:

With copper(l) iodide; caesium carbonate; N,N-dimethylethylenediamine; In dimethyl sulfoxide; at 110 ℃; for 7h; Reagent/catalyst; Temperature; Solvent; Catalytic behavior; Inert atmosphere;

Reference yield: 95.0%

3-[N-(4-Chloro-phenyl)-hydrazino]-propionic acid (22709-37-1) → 1-(4-chlorophenyl)-1Η-pyrazol-3-ol (76205-19-1)

Guidance literature:

In chlorobenzene; for 2h; Solvent; Reflux;

upstream raw materials:

1-(4-chlorophenyl)-3-pyrazolidinone

cobalt(II) acetate

4-chlorophenylhydrazine hydrosulfate

propynoic acid methyl ester

Downstream raw materials:

3-(2-((1-(4-chlorophenyl)-2H-pyrazol-3-yloxy)methyl)phenyl)oxazolidin-2-one

C₁₅H₁₈ClN₃O₂

Refernces

• 1、 -. "Method for preparing 1-(4-chlorphenyl)-pyrazolidine-3-one". Paragraph 0064-0065; 0075-0077; 0079; 0089-0090; 0091; 0101. . Retrieved 2021/02/10.
• 2、 -. "Synthesis method and application of 1-(4-chlorphenyl)-3-pyrazole alcohol". Paragraph 0020-0027. . Retrieved 2020/05/01.