Octahydro-1H-quinolizine-3-carbonitrile

Base Information

• Chemical Name: Octahydro-1H-quinolizine-3-carbonitrile
• CAS No.: 73259-83-3
• Molecular Formula: C₁₀H₁₆N₂
• Molecular Weight: 164.25
• Hs Code.: 2926909090
• European Community (EC) Number: 615-944-4
• DSSTox Substance ID: DTXSID50501133
• Nikkaji Number: J106.068F
• Mol file: 73259-83-3.mol

Synonyms:73259-83-3;OCTAHYDRO-1H-QUINOLIZINE-3-CARBONITRILE;1-AZABICYCLO[4.4.0]DECANE-3-CARBONITRILE;2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile;Octahydro-2H-quinolizine-3-carbonitrile;SCHEMBL9048012;DTXSID50501133

Chemical Property of Octahydro-1H-quinolizine-3-carbonitrile

Chemical Property:

• Melting Point: 51 - 52 °C (hexane)
• Boiling Point: 285.3 °C at 760 mmHg
• Flash Point: 119.4 °C
• PSA: 27.03000
• Density: 1.03 g/cm³
• LogP: 1.71238
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

98.5% ^*data from raw suppliers

Octahydro-1h-quinolizine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2CC(CCC2C1)C#N

Technology Process of Octahydro-1H-quinolizine-3-carbonitrile

There total 4 articles about Octahydro-1H-quinolizine-3-carbonitrile 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:

→ 1-Azabicyclo[4.4.0]decane-3-carbonitrile (73259-83-3) + (3R*,6S*)-3-(8H-indeno[1,2-d]thiazol-2-yl)-1-azabicyclo[4.4.0]decane

Guidance literature:

Reference yield:

→ 3-Cyanochinolizidine (71731-51-6,71731-52-7,73259-83-3)

Guidance literature:

Piperidinderivat 28, NaH;

DOI:10.1248/cpb.27.1454

Reference yield:

→ trans-(3H,9aH)-3-Cyano-chinolizidin (71731-51-6,71731-52-7,73259-83-3)

Guidance literature:

Chlorid 10, NaH, NaNH2 (bzw. t-BuOK), DMF (60grad);

Refernces

• 1、 Koshinaka,Ogawa,Kurata,Yamagishi,Kubo,Matsubara,Kato. "Studies on antispasmodics. I. Synthesis and anticholinergic activity of 1-, 2-, and 3-diarylmethylenequinolizidine quaternary ammonium salts". . p. 1454 - 1463. Retrieved 2007/10/04.