3-Azabicyclo[3.1.0]hexane

Base Information

• Chemical Name: 3-Azabicyclo[3.1.0]hexane
• CAS No.: 285-59-6
• Molecular Formula: C5H9N
• Molecular Weight: 83.1332
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80522351
• Mol file: 285-59-6.mol

Synonyms:3-azabicyclo(3.1.0)hexane

Chemical Property of 3-Azabicyclo[3.1.0]hexane

Chemical Property:

• PSA: 12.03000
• LogP: 0.55450
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 83.073499291
• Heavy Atom Count: 6
• Complexity: 62.3

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-Azabicyclo[3.1.0]hexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C1CNC2

Technology Process of 3-Azabicyclo[3.1.0]hexane

There total 9 articles about 3-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: 92.0%

3-azabicyclo[3.1.0]hexane hydrochloride (73799-64-1) → 3-azabicyclo [3.1.0]hexane (285-59-6)

Guidance literature:

With 2,2'-iminobis[ethanol]; In 2,2'-iminobis[ethanol]; at 30 ℃;

Reference yield: 92.0%

3-Azabicyclo<3.1.0>hexane hydrochloride (73799-64-1) → 3-azabicyclo [3.1.0]hexane (285-59-6)

Guidance literature:

3-Azabicyclo<3.1.0>hexane hydrochloride; With 2,2'-iminobis[ethanol];

With calcium hydride;

Reference yield:

3-benzyl-3-aza-bicyclo[3.1.0]hexane (70110-45-1) → 3-azabicyclo [3.1.0]hexane (285-59-6)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/j.bmcl.2005.02.036

upstream raw materials:

3-aza-bicyclo[3.1.0]hexane-2,4-dione

3-benzyl-3-aza-bicyclo[3.1.0]hexane

3-oxabicyclo[3.1.0]hexane-2,4-dione

cis-1,2-cyclopropanedicarboxylic acid

Downstream raw materials:

[4-(3-azabicyclo[3.1.0]hex-3-yl)-3,5-difluorophenyl]carbamic acid benzyl ester

[4-(3-azabicyclo[3.1.0]hex-3-yl)-3-fluorophenyl]carbamic acid benzyl ester

4-(3-aza-bicyclo[3.1.0]hex-3-yl)-3,5-difluoro-phenylamine

4-(3-aza-bicyclo[3.1.0]hex-3-yl)-3-fluoro-phenylamine

Refernces

• 1、 -. "NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF". Paragraph 1484; 1485. . Retrieved 2013/07/25.
• 2、 -. "NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS". Page/Page column 110. . Retrieved 2008/06/13.