1-Azabicyclo(2.2.2)octane, 3-methylene-

Base Information

Chemical Name:1-Azabicyclo(2.2.2)octane, 3-methylene-
CAS No.:22207-84-7
Molecular Formula:C₈H₁₃N
Molecular Weight:123.198
Hs Code.:2933990090
European Community (EC) Number:928-892-5
DSSTox Substance ID:DTXSID40176758
Wikidata:Q83047052
Mol file:22207-84-7.mol

Synonyms:22207-84-7;1-Azabicyclo(2.2.2)octane, 3-methylene-;3-methylenequinuclidine;1-Azabicyclo[2.2.2]octane, 3-methylene-;3-methylene quinuclidine;SCHEMBL1286041;DTXSID40176758

Suppliers and Price of 1-Azabicyclo(2.2.2)octane, 3-methylene-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 1-Azabicyclo(2.2.2)octane, 3-methylene-

Chemical Property:

Vapor Pressure:1.89mmHg at 25°C
Boiling Point:165.3°C at 760 mmHg
Flash Point:46.2°C
PSA：3.24000
Density:0.98g/cm³
LogP:1.20610
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:123.104799419
Heavy Atom Count:9
Complexity:132

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C1CN2CCC1CC2

Technology Process of 1-Azabicyclo(2.2.2)octane, 3-methylene-

There total 4 articles about 1-Azabicyclo(2.2.2)octane, 3-methylene- 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: 61.0%

: 3731-38-2
3-Quinuclidinone

: 1779-49-3
Methyltriphenylphosphonium bromide

: 22207-84-7
3-methylenequinuclidine

Guidance literature:: Methyltriphenylphosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at 20 - 45 ℃; for 2h; Inert atmosphere;

3-Quinuclidinone; In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere; Reflux;
DOI:10.1021/jacs.8b13223

Reference yield:

: 3731-38-2
3-Quinuclidinone

: 27200-84-6
methyl triphenylphosphonium bromide

: 22207-84-7
3-methylenequinuclidine

Guidance literature:: With n-butyllithium; In tetrahydrofuran; at 0 ℃;
DOI:10.1016/j.bmcl.2012.12.054

Reference yield:

: 1193-65-3
3-quinuclidinone hydrochloride

: 22207-84-7
3-methylenequinuclidine

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / water

2.1: potassium tert-butylate / tetrahydrofuran / 2 h / 20 - 45 °C / Inert atmosphere

2.2: 4 h / 20 °C / Inert atmosphere; Reflux

With potassium tert-butylate; sodium hydroxide; In tetrahydrofuran; water;
DOI:10.1021/jacs.8b13223