1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-

Base Information

Chemical Name:1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-
CAS No.:116834-18-5
Molecular Formula:C₁₅H₁₂ClN₃O₂
Molecular Weight:301.732
Hs Code.:
DSSTox Substance ID:DTXSID10151537
Wikidata:Q83018008
Mol file:116834-18-5.mol

Synonyms:116834-18-5;1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-;1-(4-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid;2-(1-(4-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)acetic acid;DTXSID10151537;LS-127951

Suppliers and Price of 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-

Supply Marketing:

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

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Chemical Property of 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-

Chemical Property:

Vapor Pressure:3.05E-11mmHg at 25°C
Boiling Point:510.4°C at 760 mmHg
Flash Point:262.5°C
Density:1.37g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:301.0618043
Heavy Atom Count:21
Complexity:368

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(C=C1)C2=C(C=NN2C3=CC=C(C=C3)Cl)CC(=O)O

Technology Process of 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-

There total 5 articles about 1H-Pyrazole-4-acetic acid, 1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)- 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: 98.0%

: 116834-15-2
2-[1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile

: 116834-18-5
[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-acetic acid

Guidance literature:: With potassium hydroxide; In ethanol; at 90 ℃; for 1.25h;

Reference yield:

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

: 116834-18-5
[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-acetic acid

Guidance literature:: Multi-step reaction with 5 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: 98 percent / 10percent KOH / ethanol / 1.25 h / 90 °C

With potassium hydroxide; lithium aluminium tetrahydride; phosphorus pentachloride; In tetrahydrofuran; ethanol; chloroform; acetic acid; acetonitrile;

Reference yield:

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

: 116834-18-5
[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

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

2: 98 percent / 10percent KOH / ethanol / 1.25 h / 90 °C

With potassium hydroxide; In ethanol; acetonitrile;