2-Azabicyclo[2.2.2]octane, 2-methyl-

Base Information

• Chemical Name: 2-Azabicyclo[2.2.2]octane, 2-methyl-
• CAS No.: 55100-40-8
• Molecular Formula: C8H15N
• Molecular Weight: 125.2114
• DSSTox Substance ID: DTXSID50203625
• Nikkaji Number: J1.684.435G,J779.316B
• Wikidata: Q83077026
• Mol file: 55100-40-8.mol

Synonyms:2-azabicyclo[2.2.2]octane, 2-methyl-;2-Azabicyclo(2.2.2)octane, 2-methyl-;2-methyl-2-azabicyclo[2.2.2]octane;55100-40-8;2-methyl-2-aza-bicyclo[2.2.2]octane;SCHEMBL2862962;SCHEMBL12993139;SCHEMBL15451709;DTXSID50203625;2-Azabicyclo[2.2.2]octane,2-methyl-;(1alpha,4alpha)-2beta-Methyl-2-azabicyclo[2.2.2]octane

Chemical Property of 2-Azabicyclo[2.2.2]octane, 2-methyl-

Chemical Property:

• Vapor Pressure: 2.65mmHg at 25°C
• Boiling Point: 158.2°C at 760 mmHg
• Flash Point: 40.7°C
• Density: 0.934g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 125.120449483
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CC2CCC1CC2

Technology Process of 2-Azabicyclo[2.2.2]octane, 2-methyl-

There total 6 articles about 2-Azabicyclo[2.2.2]octane, 2-methyl- 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: 80.0%

2-Methyl-2-azabicyclo<2.2.2>oct-5-en (3693-61-6) → 2-methyl-2-azabicyclo<2.2.2>octane (55100-40-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether;

DOI:10.1016/S0040-4020(01)91227-X

Reference yield:

cyclohexa-1,3-diene (1165952-91-9) → 2-methyl-2-azabicyclo<2.2.2>octane (55100-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 18 percent / H₂O / 84 h / 100 °C

2: 80 percent / H₂ / Pd/C / diethyl ether

With hydrogen; palladium on activated charcoal; In diethyl ether; water;

DOI:10.1016/S0040-4020(01)91227-X

Reference yield:

(1R)-2-methyl-2-aza-bicyclo[2.2.2]octan-5-one (1877-95-8,1940-00-7,2189-51-7,45762-94-5) + ethane-1,2-dithiol (540-63-6) → 2-methyl-2-azabicyclo<2.2.2>octane (55100-40-8)

Guidance literature:

Anschliessend Desulfurierung;

DOI:10.1021/ja01555a061

upstream raw materials:

(1R)-2-methyl-2-aza-bicyclo[2.2.2]octan-5-one

ethane-1,2-dithiol

2-Methyl-2-azabicyclo<2.2.2>oct-5-en

2-methyl-2-azabicyclo<2.2.2>octan-3-one

Refernces

• 1、 Belkacemi, Djaballah,Malpass, John R.. "NMR Studies of N-Methyl Derivatives of the 2-Azabicycloheptyl and -octyl Ring System; Kinetic Protonation in Determination of Invertomer Preferences". . p. 9105 - 9116. Retrieved 2007/10/02.