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

Base Information

Chemical Name:1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CAS No.:116834-17-4
Molecular Formula:C15H13 N3 O2
Molecular Weight:267.2826
Hs Code.:
DSSTox Substance ID:DTXSID50151536
Wikidata:Q83018007

Synonyms:116834-17-4;BRN 4502400;1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-;1-Phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-acetic acid;2-(1-Phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)acetic acid;DTXSID50151536;LS-127973

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

Chemical Property:

Vapor Pressure:1.94E-10mmHg at 25°C
Boiling Point:490.5°Cat760mmHg
Flash Point:250.5°C
Density:1.27g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:267.100776666
Heavy Atom Count:20
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C(=C(C=N2)CC(=O)O)N3C=CC=C3

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

There total 5 articles about 1H-Pyrazole-4-acetic acid, 1-phenyl-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: 100.0%

: 112633-61-1
2-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile

: 116834-17-4
1-phenyl-5-(1-pyrryl)pyrazole-4-acetic acid

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

Reference yield:

: 16078-71-0
ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

: 116834-17-4
1-phenyl-5-(1-pyrryl)pyrazole-4-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 87 percent / acetic acid / 1 h

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

3: 74 percent / PCl₅ / CHCl₃ / 0 deg C, 15 min; r.t., 1 h

4: 91 percent / acetonitrile / 3 h / Ambient temperature

5: 100 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:

: 94692-05-4
ethyl 1-phenyl-5-(pyrrol-1-yl)-1H-pyrazole-4-carboxylate

: 116834-17-4
1-phenyl-5-(1-pyrryl)pyrazole-4-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / LiAlH₄ / tetrahydrofuran / 2 h / Ambient temperature

2: 74 percent / PCl₅ / CHCl₃ / 0 deg C, 15 min; r.t., 1 h

3: 91 percent / acetonitrile / 3 h / Ambient temperature

4: 100 percent / 10percent KOH / ethanol / 1.25 h / 90 °C

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