5-Ethyl-3,4-dihydro-2H-pyrrole

Base Information

• Chemical Name: 5-Ethyl-3,4-dihydro-2H-pyrrole
• CAS No.: 1192-29-6
• Molecular Formula: C6H11 N
• Molecular Weight: 97.16
• DSSTox Substance ID: DTXSID00152336
• Nikkaji Number: J47.755I
• Wikidata: Q63409628
• Mol file: 1192-29-6.mol

Synonyms:1-Pyrroline,2-ethyl- (7CI,8CI); 2-Ethyl-1-pyrroline; 2-Ethyl-4,5-dihydro-3H-pyrrole;5-Ethyl-3,4-dihydro-2H-pyrrole

Chemical Property of 5-Ethyl-3,4-dihydro-2H-pyrrole

Chemical Property:

• Vapor Pressure: 18.2mmHg at 25°C
• Boiling Point: 120.5°Cat760mmHg
• Flash Point: 17.6°C
• PSA: 12.36000
• Density: 0.93g/cm³
• LogP: 1.06680
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 84.2

Purity/Quality:

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

5-Ethyl-3,4-dihydro-2H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NCCC1
• Uses: Flavoring compounds found in Chinese noodles and rice.

Technology Process of 5-Ethyl-3,4-dihydro-2H-pyrrole

There total 18 articles about 5-Ethyl-3,4-dihydro-2H-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: 95.0%

2-Pyrrolidin-(2Z)-ylidene-propionic acid ethyl ester (96319-44-7,113236-57-0) → 2-ethyl-1-pyrroline (1192-29-6)

Guidance literature:

With boric acid; at 180 ℃; for 0.75h;

DOI:10.1016/S0040-4039(00)96122-7

Reference yield: 90.0%

N-trimethylsilyl-pyrrolidin-2-one (14468-90-7) + ethyllithium (811-49-4) → 2-ethyl-1-pyrroline (1192-29-6)

Guidance literature:

In diethyl ether; 1.) -20 deg C, 30 min, 2.) 25 deg C, 1h; or with EtMgBr;

DOI:10.1021/jo00298a062

Reference yield: 79.0%

3-propionyl-1-vinyl-2-pyrrolidone (350017-26-4) → 2-ethyl-1-pyrroline (1192-29-6)

Guidance literature:

3-propionyl-1-vinyl-2-pyrrolidone; With hydrogenchloride; In tetrahydrofuran; water; at 100 ℃; for 6.2h; Heating / reflux;

With sodium hydroxide; In water; at 5 - 10 ℃; pH=9 - 10; Alkaline conditions;

upstream raw materials:

2-ethyl-1H-pyrrole

4-Chlorobutyronitrile

ethylmagnesium bromide

N-trimethylsilyl-pyrrolidin-2-one

Downstream raw materials:

2-ethyl-pyrrolidine

2-<β-(2'-Hydroxyphenyl)-α-methyl-ethyl>-Δ1-pyrrolin

2-acetyl-1-pyrrolidine