(5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

Base Information

• Chemical Name: (5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
• CAS No.: 178419-47-1
• Molecular Formula: C9H14 N2 O2
• Molecular Weight: 182.222
• UNII: C3VZ57BN3M
• DSSTox Substance ID: DTXSID60415499
• Nikkaji Number: J1.446.405K
• Wikipedia: AR-R17779
• Wikidata: Q4653530
• Pharos Ligand ID: LWBBQZ4435LH
• ChEMBL ID: CHEMBL193016
• Mol file: 178419-47-1.mol

Synonyms:AR-R 17779;AR-R-17779;AR-R17779;spiro(1-azabicyclo(2.2.2)octane-3,5'-oxazolidin-2'-one)

Chemical Property of (5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

Chemical Property:

• PSA: 41.57000
• LogP: 0.45730
• 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

AR-R17779 Hydrochloride ≥97% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCC1C3(C2)CNC(=O)O3
• Isomeric SMILES: C1CN2CCC1[C@@]3(C2)CNC(=O)O3
• Uses: AR-R 17779 Hydrochloride is a selective α7 nicotinic receptor agonist.

Technology Process of (5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

There total 1 articles about (5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-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: 71.0%

2-bromonaphthalene (580-13-2) + (-)-AAR 17779 (178419-47-1,178419-45-9) → C19H20N2O2

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 12h;

DOI:10.1021/jm049188d

Reference yield: 47.0%

4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide (857334-83-9) + (-)-AAR 17779 (178419-47-1,178419-45-9) → 4-[5-((R)-5-1-aza-bicyclo[2.2.2]oct-3-yl-2-oxo-oxazolidin-3-yl)-thiophen-2-yl]-N,N-dimethyl-benzamide

Guidance literature:

With copper(l) iodide; potassium carbonate; ethylenediamine; In 1,4-dioxane; at 110 ℃;

Downstream raw materials:

(R)-3'-(thiophen-2-yl)spiro[1-azabicyclo[2.2.2]octan-3,5'-oxazolidin]-2'-one

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