1-(3-Chlorophenyl)pyrazole

Base Information

• Chemical Name: 1-(3-Chlorophenyl)pyrazole
• CAS No.: 57211-65-1
• Molecular Formula: C9H7ClN2
• Molecular Weight: 178.621
• European Community (EC) Number: 970-005-9
• Nikkaji Number: J2.542.161B
• Mol file: 57211-65-1.mol

Synonyms:1-(3-chlorophenyl)pyrazole;57211-65-1;1-(3-chlorophenyl)-1H-pyrazole;1-(3-CHLORO-PHENYL)-1H-PYRAZOLE;SCHEMBL173839;UKTWBTORFIIARB-UHFFFAOYSA-N;MFCD11845709;BS-32577;CS-0207769;F97622;EN300-6477028;Z431509876

Chemical Property of 1-(3-Chlorophenyl)pyrazole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Chlorophenyl)pyrazole

There total 11 articles about 1-(3-Chlorophenyl)pyrazole 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%

NH-pyrazole (288-13-1) + 3-chlorofluorobenzene (625-98-9) → 1-(3-chloro-phenyl)-1H-pyrazole (57211-65-1)

Guidance literature:

With potassium phosphate; In N,N-dimethyl-formamide; at 190 ℃; for 1h; Microwave irradiation;

DOI:10.1002/anie.201202149

Reference yield: 96.0%

NH-pyrazole (288-13-1) + 3-chlorophenylboronic acid (63503-60-6) → 1-(3-chloro-phenyl)-1H-pyrazole (57211-65-1)

Guidance literature:

With D-galacturonic acid; potassium carbonate; copper(I) bromide; In water; at 40 - 60 ℃; Inert atmosphere; Green chemistry;

DOI:10.1055/s-0039-1690226

Reference yield: 87.0%

NH-pyrazole (288-13-1) + 3-iodochlorobenzene (625-99-0) → 1-(3-chloro-phenyl)-1H-pyrazole (57211-65-1)

Guidance literature:

With potassium phosphate; N,N`-dimethylethylenediamine; iron(III) chloride; In toluene; at 135 ℃; for 24h;

DOI:10.1002/anie.200703299

upstream raw materials:

malondialdehyde bis(diethyl acetal)

m-chlorophenylhydrazine hydrochloride

NH-pyrazole

3-iodochlorobenzene

Downstream raw materials:

N-[3-(1-pyrazolyl)phenyl]aniline

8-chloro-4,5-diphenylpyrazolo[1,5-a]quinoline

1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde