3-Oxa-6-azabicyclo[3.1.0]hexane

Base Information

• Chemical Name: 3-Oxa-6-azabicyclo[3.1.0]hexane
• CAS No.: 5834-36-6
• Molecular Formula: C4H7NO
• Molecular Weight: 85.1045
• European Community (EC) Number: 865-812-7
• DSSTox Substance ID: DTXSID00973907
• Mol file: 5834-36-6.mol

Synonyms:3-oxa-6-azabicyclo[3.1.0]hexane;5834-36-6;3-Oxa-6-azabicyclo(3.1.0)hexane;DTXSID00973907;AKOS006359152;EN300-180637

Chemical Property of 3-Oxa-6-azabicyclo[3.1.0]hexane

Chemical Property:

• Vapor Pressure: 9.6mmHg at 25°C
• Boiling Point: 130.7°Cat760mmHg
• PKA: 6.07±0.20(Predicted)
• Flash Point: 33.4°C
• PSA: 31.17000
• Density: 1.141g/cm³
• LogP: -0.31420
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 85.052763847
• Heavy Atom Count: 6
• Complexity: 65.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(N2)CO1

Technology Process of 3-Oxa-6-azabicyclo[3.1.0]hexane

There total 2 articles about 3-Oxa-6-azabicyclo[3.1.0]hexane 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:

(3R,4S)-4-aminotetrahydrofuran-3-ol (190792-70-2,153610-11-8,214629-29-5,330975-13-8,535936-61-9) → 3-oxa-6-azabicyclo[3.1.0]hexane (5834-36-6)

Guidance literature:

(3R,4S)-4-aminotetrahydrofuran-3-ol; With sulfuric acid; In water; at 0 - 10 ℃; for 11h;

With sodium hydroxide; In water; at 100 ℃;

Reference yield:

sulfuric acid mono-(4-amino-tetrahydro-furan-3-yl) ester → 3-oxa-6-azabicyclo[3.1.0]hexane (5834-36-6)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01339a011

upstream raw materials:

(3R,4S)-4-aminotetrahydrofuran-3-ol