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

Base Information

• Chemical Name: 5-Propyl-3,4-dihydro-2H-pyrrole
• CAS No.: 872-81-1
• Molecular Formula: C₇H₁₃N
• Molecular Weight: 111.187
• DSSTox Substance ID: DTXSID30236178
• Nikkaji Number: J2.105.903J
• Wikidata: Q83118096
• Mol file: 872-81-1.mol

Synonyms:5-Propyl-3,4-dihydro-2H-pyrrole;2-Propyl-1-pyrroline;1-Pyrroline, 2-propyl-;872-81-1;SCHEMBL15919221;DTXSID30236178;AKOS025213038;A842851

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

Chemical Property:

• Vapor Pressure: 6.16mmHg at 25°C
• Boiling Point: 145.3°C at 760 mmHg
• Flash Point: 32.8°C
• PSA: 12.36000
• Density: 0.92g/cm³
• LogP: 1.45690
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 111.104799419
• Heavy Atom Count: 8
• Complexity: 94.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NCCC1

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

There total 4 articles about 5-Propyl-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: 70.0%

2-Pyrrolidin-(2Z)-ylidene-butyric acid ethyl ester (113236-58-1) → 2-Propyl-Δ1-pyrrolin (872-81-1)

Guidance literature:

With boric acid; at 180 ℃; for 0.75h;

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

Reference yield:

tert-butyl (4-oxoheptyl)carbamate → 2-Propyl-Δ1-pyrrolin (872-81-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2007.03.089

Reference yield:

2-methoxy-1-pyrroline (5264-35-7) + propyllithium (2417-93-8) → 2,2-dipropyl-pyrrolidine (92144-56-4) + 2-Propyl-Δ1-pyrrolin (872-81-1)

Guidance literature:

In diethyl ether; at -24 ℃; for 12h; Product distribution; other lactim ethers, other organolithium reagents, other conc.;

DOI:10.1021/jo00197a013

upstream raw materials:

2-methoxy-1-pyrroline

propyllithium

2-Pyrrolidin-(2Z)-ylidene-butyric acid ethyl ester

Downstream raw materials:

2-propionyl-1-pyrroline