Octahydro-1h-cyclopenta[b]pyridine

Base Information

• Chemical Name: Octahydro-1h-cyclopenta[b]pyridine
• CAS No.: 51501-54-3
• Molecular Formula: C8H15N
• Molecular Weight: 125.214
• Hs Code.: 2933990090
• European Community (EC) Number: 257-245-3
• NSC Number: 132840
• DSSTox Substance ID: DTXSID90965836
• Nikkaji Number: J261.742K
• Mol file: 51501-54-3.mol

Synonyms:octahydro-1h-cyclopenta[b]pyridine;51501-54-3;Octahydro-1H-1-pyrindine;2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;Octahydro-[1]pyrindine;EINECS 257-245-3;NSC132840;octahydro-1-pyrindine;C12CCCC1NCCC2;SCHEMBL248969;DTXSID90965836;BCA50154;CS1329;MFCD09055064;AKOS000195135;AKOS022473510;NSC 132840;NSC-132840;SB37437;AS-46511;CS-0046705;EN300-58793;A871262

Chemical Property of Octahydro-1h-cyclopenta[b]pyridine

Chemical Property:

• Boiling Point: 83 °C(Press: 19 Torr)
• PKA: 11.75±0.20(Predicted)
• PSA: 12.03000
• Density: 0.915±0.06 g/cm3(Predicted)
• LogP: 1.86730
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

Octahydro-1H-cyclopenta[b]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCCNC2C1

Technology Process of Octahydro-1h-cyclopenta[b]pyridine

There total 37 articles about Octahydro-1h-cyclopenta[b]pyridine 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:

tert-butyl octahydrocyclopenta[b]pyridine-1-carboxylate → (+/-)-trans-octahydro[1]pyrindine (4594-82-5,39494-05-8,51501-54-3,147731-69-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol102038x

Reference yield:

(RS,SR)-1-benzenesulfonyl-octahydro-[1]pyridine → (+/-)-trans-octahydro[1]pyrindine (4594-82-5,39494-05-8,51501-54-3,147731-69-9)

Guidance literature:

With methanol; magnesium; for 4h; Reflux;

DOI:10.1016/j.tet.2011.08.025

Reference yield:

1-pyrrolidinocyclopent-1-ene (7148-07-4) → (+/-)-trans-octahydro[1]pyrindine (4594-82-5,39494-05-8,51501-54-3,147731-69-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / benzene / 3 h / Heating

2: 69 percent / LAH / diethyl ether

3: LAH / diethyl ether / 2 h

With lithium aluminium tetrahydride; In diethyl ether; benzene;

DOI:10.1016/0040-4020(82)80182-8

upstream raw materials:

2,3-cyclopentenopyridine

3,4,4a,5,6,7-hexahydro-2H-cyclopentapyridine

3-(Cyclopent-1'-enyl)propyl bromide

1-pyrrolidinocyclopent-1-ene