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:

98%,99%, ^*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-ethyl-3-nitropyrrole

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

1-ethyl-2,5-diphenylpyrrole

C₁₃H₁₂INO₃

Refernces

• 1、 Youngman, Mark A.,Carson, John R.,Lee, Jung S.,Dax, Scott L.,Zhang, Sui-Po,Colburn, Ray W.,Stone, Dennis J.,Codd, Ellen E.,Jetter, Michele C.. "Synthesis and structure-activity relationships of aroylpyrrole alkylamide bradykinin (B2) antagonists". . p. 1341 - 1344. Retrieved 2007/10/03.
• 2、 Diez-Barra, E.,Hoz, A. de la,Loupy, A.,Sanchez-Migallon, A.. "Selective Alkylation of Pyrrole by Phase Transfer Catalysis in the Absence of Solvent". . p. 1715 - 1718. Retrieved 2007/10/02.