8-Oxa-3-azabicyclo[3.2.1]octane

Base Information

• Chemical Name: 8-Oxa-3-azabicyclo[3.2.1]octane
• CAS No.: 280-13-7
• Molecular Formula: C6H11NO

• Molecular Weight: 113.159
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL4587521
• DSSTox Substance ID: DTXSID50476933
• Nikkaji Number: J2.993.465G
• Mol file: 280-13-7.mol

Synonyms:8-OXA-3-AZABICYCLO[3.2.1]OCTANE;280-13-7;8-OXA-3-AZA-BICYCLO[3.2.1]OCTANE;MFCD09836264;8-oxa-3-azabicyclo(3.2.1)octane;8-oxa-3-azabicyclo (3.2.1)octane;8-oxa-3-azabicyclo [3.2.1]octane;SCHEMBL55905;CHEMBL4587521;DTXSID50476933;WLZ3798;POOPWPIOIMBTOH-UHFFFAOYSA-N;CS-M0310;AKOS000279314;AKOS016344482;GS-5423;PB19030;SB20757;SY039543;BB 0261616;FT-0745287;EN300-82709;P10791;A876803;F2165-0032;Z1198181219

Chemical Property of 8-Oxa-3-azabicyclo[3.2.1]octane

Chemical Property:

• Vapor Pressure: 1.09mmHg at 25°C
• Boiling Point: 176.6°C at 760 mmHg
• PKA: 9.23±0.20(Predicted)
• Flash Point: 58.6°C
• PSA: 21.26000
• Density: 1.028g/cm³
• LogP: 0.46600
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 84.5

Purity/Quality:

97% ^*data from raw suppliers

8-oxa-3-azabicyclo[3.2.1]octane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNCC1O2
• Recent ClinicalTrials: Evaluation of Safety, Immunogenicity and Efficacy of a Triple Immune Regimen in Adults Initiated on ART During Acute HIV-1

Technology Process of 8-Oxa-3-azabicyclo[3.2.1]octane

There total 9 articles about 8-Oxa-3-azabicyclo[3.2.1]octane 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: 82.0%

(furan-2,5-diyl) dimethanamine (2213-51-6) → 8-oxa-3-aza-bicyclo[3.2.1]octane (280-13-7) + (tetrahydrofuran-2,5-diyl) dimethanamine (66918-21-6)

Guidance literature:

With hydrogen; In para-xylene; at 100 ℃; for 12h; under 68404.6 Torr; Autoclave;

Reference yield: 50.0%

furan-2,5-dicarboxaldehyde dioxime → 8-oxa-3-aza-bicyclo[3.2.1]octane (280-13-7) + (tetrahydrofuran-2,5-diyl) dimethanamine (66918-21-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 50 ℃; for 18h; under 26601.8 Torr; Reagent/catalyst; Temperature; Pressure; Autoclave;

Reference yield:

5-hydroxymethyltetrahydrofurfurylamine → 8-oxa-3-aza-bicyclo[3.2.1]octane (280-13-7)

Guidance literature:

With ammonia; hydrogen; In toluene; at 200 ℃; for 11h; under 3000.3 Torr; Autoclave;

DOI:10.1016/j.catcom.2014.09.027

upstream raw materials:

cis-2,5-bis(hydroxymethyl)-tetrahydrofuran ditosylate

ammonia

cis-2,5-bis(hydroxymethyl)tetrahydrofuran

tetrahydrofuran-2,5-dimethanol

Downstream raw materials:

2-(8-oxa-3-aza-bicyclo[3.2.1]oct-3-yl)-ethanol

3-benzoyl-8-oxa-3-aza-bicyclo[3.2.1]octane

C₁₇H₂₉N₃O₄

2-(8-oxa-3-aza-bicyclo[3.2.1]octane-3-carbonyl)-benzoic acid