2-Azabicyclo[2.2.2]octan-3-one

Base Information

Chemical Name:2-Azabicyclo[2.2.2]octan-3-one
CAS No.:3306-69-2
Molecular Formula:C7H11NO
Molecular Weight:125.17
Hs Code.:2933790090
European Community (EC) Number:830-572-4
NSC Number:85851
DSSTox Substance ID:DTXSID60186718
Nikkaji Number:J12.864C
Wikidata:Q72444273
Mol file:3306-69-2.mol

Synonyms:2-Azabicyclo[2.2.2]octan-3-one;3306-69-2;3-Isoquinuclidone;Isonortropinone;Cyclohexanecarboxylic acid, 4-amino-, lactam;2-Azabicyclo[2,2,2]octan-3-one;(1S,4S)-2-AZABICYCLO[2.2.2]OCTAN-3-ONE;3-azabicyclo[2.2.2]octan-2-one;4-Aminocyclohexanecarboxylic acid lactam;NCIOpen2_001018;SCHEMBL85907;SCHEMBL10474079;DTXSID60186718;Cyclohexanecarboxylic acid, lactam;CZVSOFLNEUYJRJ-UHFFFAOYSA-N;NSC85851;MFCD16547516;NSC 85851;NSC-85851;STL453938;2-Aza-bicyclo[2.2.2]octan-3-one;AKOS005166893;AKOS006357059;PB30124;AMY202100070;AS-34454;CS-15839;CS-0052042;FT-0654027;(1r,4r)-2-azabicyclo[2.2.2]octan-3-one;EN300-59958;EN300-399459;EN300-2985024;A821601;Z926909656;InChI=1/C7H11NO/c9-7-5-1-3-6(8-7)4-2-5/h5-6H,1-4H2,(H,8,9

Suppliers and Price of 2-Azabicyclo[2.2.2]octan-3-one

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

TRC
2-Azabicyclo[2.2.2]octan-3-one
50mg
$ 65.00

SynQuest Laboratories
2-Azabicyclo[2.2.2]octan-3-one
1 g
$ 375.00

SynQuest Laboratories
2-Azabicyclo[2.2.2]octan-3-one
250 mg
$ 125.00

SynQuest Laboratories
2-Azabicyclo[2.2.2]octan-3-one
5 g
$ 1150.00

Matrix Scientific
2-Azabicyclo[2.2.2]octan-3-one
1g
$ 473.00

Matrix Scientific
2-Azabicyclo[2.2.2]octan-3-one
5g
$ 1300.00

Crysdot
2-Azabicyclo[2.2.2]octan-3-one 95+%
250mg
$ 115.00

Crysdot
2-Azabicyclo[2.2.2]octan-3-one 95+%
1g
$ 285.00

Chemenu
2-azabicyclo[2.2.2]octan-3-one 97%
10g
$ 1265.00

Chemenu
2-azabicyclo[2.2.2]octan-3-one 97%
5g
$ 825.00

Total 20 raw suppliers

Chemical Property of 2-Azabicyclo[2.2.2]octan-3-one

Chemical Property:

Vapor Pressure:0.00135mmHg at 25°C
Melting Point:200-202℃ (benzene hexane )
Refractive Index:1.497
Boiling Point:297.4 °C at 760 mmHg
PKA:15.95±0.20(Predicted)
Flash Point:167.8 °C
PSA：29.10000
Density:1.083 g/cm³
LogP:1.00380
Storage Temp.:-20°C Freezer, Under inert atmosphere
Solubility.:Methanol (Slightly), Water (Slightly)
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:125.084063974
Heavy Atom Count:9
Complexity:136

Purity/Quality:

99%, ^*data from raw suppliers

2-Azabicyclo[2.2.2]octan-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CCC1C(=O)N2
Uses 2-Azabicyclo[2.2.2]octan-3-one (cas# 3306-69-2) is used in the preparation of quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or tyrosine kinases. It is also used in the preparation of phenyl derivatives containing inhibitors of coagulation factor for prophylaxis and/or therapy of thromboembolic disorders.

Technology Process of 2-Azabicyclo[2.2.2]octan-3-one

There total 13 articles about 2-Azabicyclo[2.2.2]octan-3-one 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: 89.0%

: 1776-53-0
4-aminocyclohexanecarboxylic acid

: 3306-69-2
2-aza-bicyclo[2.2.2]octan-3-one

Guidance literature:: With diphenyl ether-biphenyl eutectic; at 250 ℃;
DOI:10.1081/SCC-120004848

Reference yield: 89.0%

: C₇H₁₂NO₂^(1-)*K⁽¹⁺⁾

: 3306-69-2
2-aza-bicyclo[2.2.2]octan-3-one

Guidance literature:: With 1-methyl-1H-imidazole; bis(trichloromethyl) carbonate; potassium hydroxide; In water; acetonitrile; at 60 ℃; for 0.00277778h; Inert atmosphere;
DOI:10.1002/chem.202100059