4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one

Base Information

• Chemical Name: 4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one
• CAS No.: 178419-45-9
• Molecular Formula: C₉H₁₄N₂O₂
• Molecular Weight: 182.222
• DSSTox Substance ID: DTXSID00431774
• Nikkaji Number: J1.395.400C
• ChEMBL ID: CHEMBL293975
• Mol file: 178419-45-9.mol

Synonyms:178419-45-9;4-azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one;Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin]-2'-one;spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one;CHEMBL293975;SCHEMBL829499;(-)-Spiro[1-azabicyclo[2.2.2]octane-3,5''-oxazolidin-2''-one];SCHEMBL14389571;Spiro[1-azabicyclo[2.2.2]octane-3,5-oxazolidin]-2-one, (3S)- (9CI);DTXSID00431774;TYAGAVRSOFABFO-UHFFFAOYSA-N;Spiro[1-azabicyclo[2.2.2]octane-3,5-oxazolidin]-2-one (9CI);BDBM50093255;AKOS014925257;PD054825;EN300-189988;F2147-2969;Z1266873870;4-azaspiro[bicyclo[2.2.2]octane-2,5'-oxazolidin]-2'-one;1''-azaspiro[oxazolidine-5,3''-bicyclo[2.2.2]octan]-2-one;Spiro[1-azabicyclo[2.2.2]octane-3,5''-oxazolidin-2''-one];(+)-Spiro[1-azabicyclo[2.2.2]octane-3,5''-oxazolidin-2''-one];2''H-spiro[4-azabicyclo[2.2.2]octane-2,5''-[1,3]oxazolidin]-2''-one

Chemical Property of 4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one

Chemical Property:

• PSA: 45.06000
• LogP: -0.23150
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.105527694
• Heavy Atom Count: 13
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

4-azaspiro[bicyclo[2.2.2]octane-2,5''-oxazolidin]-2''-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCC1C3(C2)CNC(=O)O3

Technology Process of 4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one

There total 5 articles about 4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-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:

((S)-3-Hydroxy-1-aza-bicyclo[2.2.2]oct-3-yl)-acetic acid hydrazide → (-)-AAR 17779 (178419-47-1,178419-45-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 80 ℃; for 3h;

DOI:10.1021/jo049404q

Reference yield:

(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-yl)-acetyl azide → (+)-spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one] (178419-45-9) + (-)-spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one] (178419-45-9)

Guidance literature:

(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-yl)-acetyl azide; With hydrogenchloride; at 70 ℃; for 0.333333h; pH=1;

With O,O'-dibenzoyl-D-tartaric acid; In ethanol; Further stages.;

DOI:10.1021/jm000249r

Reference yield:

(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-yl)-acetyl azide → (+)-spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one] (178419-45-9) + (-)-spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidin-2'-one] (178419-45-9)

Guidance literature:

(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-yl)-acetyl azide; With hydrogenchloride; at 70 ℃; for 0.333333h; pH=1;

With O,O'-dibenzoyl-D-tartaric acid; In ethanol; Further stages.;

DOI:10.1021/jm000249r

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