Octahydrocyclopenta[c]pyrrole

Base Information

• Chemical Name: Octahydrocyclopenta[c]pyrrole
• CAS No.: 5661-03-0
• Molecular Formula: C₇H₁₃N
• Molecular Weight: 111.187
• Hs Code.: 2933990090
• European Community (EC) Number: 227-114-5
• DSSTox Substance ID: DTXSID30972049
• Nikkaji Number: J225.082I
• Mol file: 5661-03-0.mol

Synonyms:octahydrocyclopenta[c]pyrrole;5661-03-0;1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;Octahydrocyclopenta(c)pyrrole;3-Azabicyclo[3.3.0]octane;CYCLOPENTA[C]PYRROLE, OCTAHYDRO-;EINECS 227-114-5;EC 227-114-5;Cyclopenta(c)pyrrole, octahydro-;OCTAHYDRO-CYCLOPENTA[C]PYRROLE;SCHEMBL27397;SCHEMBL17530904;DTXSID30972049;MFCD00673991;AKOS006223720;AB06909;PB16219;(3aS,6aR)-octahydrocyclopenta[c]pyrrole;AM804052;AS-41443;Octahydrocyclopenta[c]pyrrole, AldrichCPR;3,4-(1,3-PROPANEDIYL)PYRROLIDINE;CS-0183365;FT-0603837;FT-0649266;A18214;EN300-118154;A831110;W-110052;1,2,3,3a,4,5,6,6a-octahydro-cyclopenta[c]pyrrole

Chemical Property of Octahydrocyclopenta[c]pyrrole

Chemical Property:

• Vapor Pressure: 1.92mmHg at 25°C
• Refractive Index: 1.478
• Boiling Point: 165 °C at 760 mmHg
• PKA: 11.53±0.20(Predicted)
• Flash Point: 44.8 °C
• PSA: 12.03000
• Density: 0.934 g/cm³
• LogP: 1.33470
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: 1000g/L at 20℃
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 111.104799419
• Heavy Atom Count: 8
• Complexity: 80.4

Purity/Quality:

99.9% ^*data from raw suppliers

Octahydrocyclopenta[c]pyrrole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNCC2C1

Technology Process of Octahydrocyclopenta[c]pyrrole

There total 14 articles about Octahydrocyclopenta[c]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: 98.0%

N-benzyl-3-aza<3.3.0>bicyclooctane (118989-10-9) → octahydrocyclopenta[c]pyrrole (1468-87-7,5661-03-0,10268-00-5)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4020(01)87128-3

Reference yield: 80.8%

hexahydrocyclopenta[c]pyrrole-1(2H)-one (56593-76-1) → octahydrocyclopenta[c]pyrrole (1468-87-7,5661-03-0,10268-00-5)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 20 - 50 ℃; for 22h; Time;

Reference yield:

cyclopent-1-ene-1,2-dicarbonitrile (54095-53-3) → octahydrocyclopenta[c]pyrrole (1468-87-7,5661-03-0,10268-00-5)

Guidance literature:

With rhodium contaminated with carbon; hydrogen; In tetrahydrofuran; at 130 ℃; for 11h; under 41254.1 Torr; Reagent/catalyst; Time; Temperature; Pressure; Concentration; Autoclave;

upstream raw materials:

N-benzyl-3-aza<3.3.0>bicyclooctane

N-chloro-3-azabicyclo[3.3.0]octane

N-(1'-hydroxy-2'-butyl)-3-aza-3,3,0-bicyclooctane

N-(1'-tert-butoxy-2'-butyl)-3-aza<3,3,0>bicyclooctane

Downstream raw materials:

N-amino-aza-3-bicyclo<3.3.0>octane

N-chloro-3-azabicyclo[3.3.0]octane

N-benzyl-3-aza<3.3.0>bicyclooctane

2-p-tolyl-octahydro-cyclopenta[c]pyrrole

Refernces

• 1、 -. "Preparation method of gliclazide intermediate octahydrocyclopenta[c]pyrrole". . . Retrieved 2017/07/19.
• 2、 -. "METHOD FOR PREPARATION OF OCTAHYDROCYCLOPENTA[C]PYRROLE". Page/Page column 13; 14. . Retrieved 2013/07/19.