1-Phenylpyrrole

Base Information

• Chemical Name: 1-Phenylpyrrole
• CAS No.: 635-90-5
• Molecular Formula: C10H9 N
• Molecular Weight: 143.188
• Hs Code.: 2933990090
• European Community (EC) Number: 211-242-3
• NSC Number: 16581
• UNII: 3OD6N6545H
• DSSTox Substance ID: DTXSID60212905
• Nikkaji Number: J101.281I
• Wikidata: Q27257818
• ChEMBL ID: CHEMBL84459
• Mol file: 635-90-5.mol

Synonyms:N-phenylpyrrole

Chemical Property of 1-Phenylpyrrole

Chemical Property:

• Appearance/Colour: light beige to brown crystalline powder and lumps
• Vapor Pressure: 0.0827mmHg at 25°C
• Melting Point: 58-60 °C(lit.)
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 234 °C(lit.)
• PKA: -5.30±0.30(Predicted)
• Flash Point: 95.3 °C
• PSA: 4.93000
• Density: 0.97 g/cm³
• LogP: 2.47730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 143.073499291
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

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

1-Phenylpyrrole >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=CC=C2
• Uses: 1-Phenylpyrrole was used to study the half-wave potentials of the aqueous redox couples and the oxidation potentials of the monomers in 1,2-dichloroethane.

Technology Process of 1-Phenylpyrrole

There total 113 articles about 1-Phenylpyrrole 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%

pyrrole (109-97-7,30604-81-0) + iodobenzene (591-50-4) → 1-phenylpyrrole (635-90-5)

Guidance literature:

With caesium carbonate; copper(I) oxide; trans-N,N'-bis(pyridin-2-ylmethylene)cyclohexane-1,2-diamine; In acetonitrile; at 50 - 82 ℃; for 96h; Conversion of starting material;

Reference yield: 100.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + aniline (62-53-3) → 1-phenylpyrrole (635-90-5)

Guidance literature:

With bismuth (III) nitrate pentahydrate; at 90 ℃; for 0.0833333h; Microwave irradiation; neat (no solvent);

DOI:10.1016/j.tetlet.2009.06.002

Reference yield: 98.0%

butanedial (638-37-9) + aniline (62-53-3) → 1-phenylpyrrole (635-90-5)

Guidance literature:

With ionic liquid-supported SiO₂*CF₃SO₃^(1-); In ethanol; at 20 ℃; for 0.166667h; Green chemistry;

DOI:10.1007/s13738-018-1300-8

upstream raw materials:

furan

cis,trans-2,5-dimethoxytetrahydrofuran

furfural

1,4-dihydroxybut-2-yne

Downstream raw materials:

1-(1-phenyl-1H-pyrrol-2-yl)ethanone

2-dimethylaminomethyl-1-phenylpyrrole

N-cyclohexylpyrrolidine

N-phenylpyrrolidine

Refernces

• 1、 Aghili, Nora,Hosseinzadeh, Rahman,Mavvaji, Mohammad. "Synthesis and characterization of nano-cellulose immobilized phenanthroline-copper (I) complex as a recyclable and efficient catalyst for preparation of diaryl ethers, N-aryl amides and N-aryl heterocycles". . . Retrieved 2022/01/03.
• 2、 Azhdari, Asieh,Azizi, Najmedin,Sanaeishoar, Haleh,Tahanpesar, Elham. "Amidosulfonic acid supported on graphitic carbon nitride: novel and straightforward catalyst for Paal–Knorr pyrrole reaction under mild conditions". . p. 625 - 634. Retrieved 2021/05/12.