1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid

Base Information

Chemical Name:1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid
CAS No.:116834-28-7
Molecular Formula:C₁₆H₁₄ClN₃O₂
Molecular Weight:315.759
Hs Code.:
DSSTox Substance ID:DTXSID40922171

Synonyms:1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid;1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-;116834-28-7;DTXSID40922171;LS-127948;2-[1-(4-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]propanoic acid

Suppliers and Price of 1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid

Chemical Property:

Vapor Pressure:5.4E-11mmHg at 25°C
Boiling Point:504.4°C at 760 mmHg
Flash Point:258.8°C
Density:1.34g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:315.0774544
Heavy Atom Count:22
Complexity:395

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=C(N(N=C1)C2=CC=C(C=C2)Cl)N3C=CC=C3)C(=O)O

Technology Process of 1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid

There total 7 articles about 1-(4-Chlorophenyl)-alpha-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic 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:

: 14678-87-6
ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

: 116834-28-7
2-[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-propionic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 91 percent / acetic acid / 1 h

2: 100 percent / LiAlH₄ / tetrahydrofuran / 2 h / Ambient temperature

3: 84 percent / PCl₅ / CHCl₃ / 0 deg C, 15 min; r.t., 1 h

4: 98 percent / acetonitrile / 3 h / Ambient temperature

5: C₂H₅ONa / toluene / 2 h / Heating

6: 1.) C₂H₅ONa / ethanol / 1.) 30 min, r.t.; 2.) reflux, 3 h

7: 10percent NaOH / 15 h

With sodium hydroxide; lithium aluminium tetrahydride; phosphorus pentachloride; sodium ethanolate; In tetrahydrofuran; ethanol; chloroform; acetic acid; toluene; acetonitrile;

Reference yield:

: 116834-13-0
4-Chloromethyl-1-(4-chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazole

: 116834-28-7
2-[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / acetonitrile / 3 h / Ambient temperature

2: C₂H₅ONa / toluene / 2 h / Heating

3: 1.) C₂H₅ONa / ethanol / 1.) 30 min, r.t.; 2.) reflux, 3 h

4: 10percent NaOH / 15 h

With sodium hydroxide; sodium ethanolate; In ethanol; toluene; acetonitrile;

Reference yield:

: 116834-11-8
[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-methanol

: 116834-28-7
2-[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 84 percent / PCl₅ / CHCl₃ / 0 deg C, 15 min; r.t., 1 h

2: 98 percent / acetonitrile / 3 h / Ambient temperature

3: C₂H₅ONa / toluene / 2 h / Heating

4: 1.) C₂H₅ONa / ethanol / 1.) 30 min, r.t.; 2.) reflux, 3 h

5: 10percent NaOH / 15 h

With sodium hydroxide; phosphorus pentachloride; sodium ethanolate; In ethanol; chloroform; toluene; acetonitrile;