3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid

Base Information

• Chemical Name: 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid
• CAS No.: 114150-42-4
• Molecular Formula: C19H17 Cl N2 O3
• Molecular Weight: 356.809
• European Community (EC) Number: 601-301-5
• DSSTox Substance ID: DTXSID60921287
• Nikkaji Number: J669.046G
• Wikidata: Q82894091
• Mol file: 114150-42-4.mol

Synonyms:114150-42-4;3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid;1h-pyrazole-3-propanoic acid, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-;3-(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl)propanoic acid;5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-propanoic acid;3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]propanoic acid;SCHEMBL5393447;DTXSID60921287;AMY23439;RWJ-20142;WS-02519;E72424;3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl] propionic acid;3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propionic acid

Chemical Property of 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid

Chemical Property:

• Vapor Pressure: 1.07E-12mmHg at 25°C
• Boiling Point: 544.7°Cat760mmHg
• Flash Point: 283.2°C
• Density: 1.28g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 356.0927701
• Heavy Atom Count: 25
• Complexity: 434

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)CCC(=O)O)C3=CC=C(C=C3)Cl

Technology Process of 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid

There total 3 articles about 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic Acid 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: 94.0%

4-methoxyphenylhydrazine hydrochloride (19501-58-7) + 6-(4-chlorophenyl)-4,6-dioxohexanoic acid (111881-78-8) → 3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propionic acid (114150-42-4)

Guidance literature:

With triethylamine; In methanol; for 6h; Ambient temperature;

DOI:10.1055/s-1991-26367

Reference yield: 92.0%

H2 Cr2 O7 (Jones Reagent) + 5-(4-chlorophenyl)-3-(3-hydroxypropyl)-1-(4-methoxyphenyl)pyrazole (114149-93-8) → 3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propionic acid (114150-42-4)

Guidance literature:

In acetone;

Reference yield: 70.0%

methanol (67-56-1) + 4-methoxyphenylhydrazine hydrochloride (19501-58-7) + 6-(4-chlorophenyl)-4,6-dioxohexanoic acid (111881-78-8) → methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]propionate (114150-93-5) + 3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]propionic acid (114150-42-4)

Guidance literature:

With triethylamine; at 20 ℃; for 6h; regiospecific reaction;

DOI:10.1107/S010827010900941X

upstream raw materials:

4-methoxyphenylhydrazine hydrochloride

6-(4-chlorophenyl)-4,6-dioxohexanoic acid

5-(4-chlorophenyl)-3-(3-hydroxypropyl)-1-(4-methoxyphenyl)pyrazole

methanol

Downstream raw materials:

3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-propionyl chloride

tepoxalin

methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]propionate

3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl] propyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl] propionate