N-ETHYLPYRROLE

Base Information

• Chemical Name: N-ETHYLPYRROLE
• CAS No.: 617-92-5
• Molecular Formula: C6H9N
• Molecular Weight: 95.1442
• Hs Code.: 2933990090
• European Community (EC) Number: 670-470-5
• NSC Number: 6756
• UNII: JCK8RWU2W2
• DSSTox Substance ID: DTXSID80870703
• Nikkaji Number: J102.046C
• Wikidata: Q105291005
• Mol file: 617-92-5.mol

Synonyms:Pyrrole,1-ethyl- (6CI,7CI,8CI);1-Ethyl-1H-pyrrole;1-Ethylpyrrole;N-Ethylpyrrole;NSC6756;

Chemical Property of N-ETHYLPYRROLE

Chemical Property:

• Vapor Pressure: 19.8mmHg at 25°C
• Melting Point: 6.5°C (estimate)
• Refractive Index: 1.482
• Boiling Point: 118.5 °C at 760 mmHg
• PKA: -2.80±0.70(Predicted)
• Flash Point: 25.5 °C
• PSA: 4.93000
• Density: 0.86 g/cm³
• LogP: 1.50800
• Storage Temp.: 4°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 95.073499291
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

97% ^*data from raw suppliers

1-Ethylpyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 11
• Safety Statements: 9-16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CC=C1

Technology Process of N-ETHYLPYRROLE

There total 26 articles about N-ETHYLPYRROLE 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: 88.0%

pyrrole (109-97-7,30604-81-0) + ethyl bromide (74-96-4) → 1-ethyl-1H-pyrrole (617-92-5)

Guidance literature:

With potassium hydroxide; PEG-400-Et₂; In water; benzene; at 30 ℃; for 2h;

DOI:10.1246/bcsj.56.280

Reference yield: 85.0%

pyrrole (109-97-7,30604-81-0) + ethyl iodide (75-03-6) → 1-ethyl-1H-pyrrole (617-92-5)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; at 25 ℃; for 24h;

Reference yield: 65.0%

pyrrole (109-97-7,30604-81-0) → 1-ethyl-1H-pyrrole (617-92-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 0.833333h;

upstream raw materials:

1-ethylpyrrolidine

furan

diethylamine

N-acetylpyrrole

Downstream raw materials:

1-ethylpyrrolidine

2-ethyl-1H-pyrrole

1-ethyl-1H-pyrrole-2-carbonitrile

1-ethyl-2,5-diphenylpyrrole

Refernces

A Solution-Processable meso-Phenyl-BODIPY-Based n-Channel Semiconductor with Enhanced Fluorescence Emission

10.1002/cplu.201900317

The research aims to design, synthesize, and characterize a new acceptor-donor-acceptor (AD-A) semiconductor, BDY-Ph-2T-Ph-BDY, which features a central phenyl-bithiophene-phenyl p-donor and BODIPY p-acceptor end-units. The purpose is to develop a solution-processable n-channel semiconductor with enhanced fluorescence emission for next-generation optoelectronics. The study concludes that BDY-Ph-2T-Ph-BDY exhibits an optical band gap of 2.32 eV, highly stabilized HOMO/LUMO energies (-5.74 eV/-3.42 eV), and a D-A dihedral angle of ~66°. It shows good fluorescence efficiency (FF = 0.30) and n-channel OFET transport characteristics (μe = 0.005 cm2/V·s; Ion/Ioff = 104-105), representing a significant improvement in fluorescence quantum yield compared to previous BODIPY semiconductors. This work demonstrates the potential of BDY-Ph-2T-Ph-BDY for high-performance optoelectronic applications. 4-Bromobenzaldehyde is used as a starting material to introduce the phenyl group into the BODIPY structure. N-Ethylpyrrole acts as a building block for the BODIPY core. P-Chloranil (2,3,5,6-Tetrachloro-1,4-benzoquinone) is used as an oxidizing agent in the synthesis process.

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