3-Ethyl-1H-pyrrole

Base Information

• Chemical Name: 3-Ethyl-1H-pyrrole
• CAS No.: 1551-16-2
• Molecular Formula: C6H9 N
• Molecular Weight: 95.1442
• Hs Code.: 2933990090
• European Community (EC) Number: 816-649-5
• DSSTox Substance ID: DTXSID40293111
• Nikkaji Number: J121.874C
• Wikidata: Q82031719
• Mol file: 1551-16-2.mol

Synonyms:3-Ethyl-1H-pyrrole;1551-16-2;1H-Pyrrole, 3-ethyl-;3-ETHYLPYRROLE;3-Ethyl-1H-pyrrole #;DTXSID40293111;AKOS006285564;AB31265;AC-13937;FT-0692145;EN300-345889

Chemical Property of 3-Ethyl-1H-pyrrole

Chemical Property:

• Vapor Pressure: 3.36mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 158.7°Cat760mmHg
• Flash Point: 53.2°C
• PSA: 15.79000
• Density: 0.945g/cm³
• LogP: 1.57710
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 95.073499291
• Heavy Atom Count: 7
• Complexity: 52.1

Purity/Quality:

98%min ^*data from raw suppliers

3-ETHYL-1H-PYRROLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CNC=C1

Technology Process of 3-Ethyl-1H-pyrrole

There total 17 articles about 3-Ethyl-1H-pyrrole 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: 94.0%

3-acetylpyrrole (1072-82-8) → 3-ethyl-1H-pyrrole (1551-16-2)

Guidance literature:

3-acetylpyrrole; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; Reflux;

With water; sodium sulfate; In tetrahydrofuran; Saturated solution;

DOI:10.1021/ol2018328

Reference yield: 80.0%

3-ethyl-1-phenylsulfonylpyrrole (97188-23-3) → 3-ethyl-1H-pyrrole (1551-16-2)

Guidance literature:

With sodium hydroxide; In methanol; for 2.5h; Heating;

DOI:10.1039/b306717n

Reference yield: 51.0%

3-acetyl-1-(phenylsulfonyl)pyrrole (81453-98-7) → 3-ethyl-1H-pyrrole (1551-16-2)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In various solvent(s); for 5.5h; Heating;

upstream raw materials:

diethyl 3-ethyl-5-methylpyrrole-2,4-carboxylate

3-acetylpyrrole

pyrrole

ethyl cation

Downstream raw materials:

2-ethyl-1,4-bis<(benzyloxycarbonyl)amino>butane

3-ethyl-1-phenylsulfonylpyrrole

2-ethyltetramethylenediamine

3-ethyl-1-(2-methyl-2-propenyl)pyrrole