2-Azabicyclo[3.2.1]oct-6-ene

Base Information

• Chemical Name: 2-Azabicyclo[3.2.1]oct-6-ene
• CAS No.: 71017-41-9
• Molecular Formula: C₇H₁₁N
• Molecular Weight: 109.171
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60991324
• Mol file: 71017-41-9.mol

Synonyms:3-azabicyclo[3.2.1]oct-6-ene;2-Azabicyclo[3.2.1]oct-6-ene;71017-41-9;2-Azabicyclo(3.2.1)oct-6-ene;SCHEMBL18778461;DTXSID60991324;AKOS004123484

Chemical Property of 2-Azabicyclo[3.2.1]oct-6-ene

Chemical Property:

• Vapor Pressure: 3.64mmHg at 25°C
• Boiling Point: 151.6°C at 760 mmHg
• Flash Point: 40.4°C
• PSA: 12.03000
• Density: 0.972g/cm³
• LogP: 1.25320
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.089149355
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2-Azabicyclo[3.2.1]oct-6-ene 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CNCC1C=C2

Technology Process of 2-Azabicyclo[3.2.1]oct-6-ene

There total 3 articles about 2-Azabicyclo[3.2.1]oct-6-ene 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:

2-phenylsulfonyl-2-azabicyclo<3.2.1>octa-3,6-diene (2063-88-9) → 2-Azabicyclo<3.2.1>-oct-6-en (71017-41-9)

Guidance literature:

With lithium aluminium tetrahydride;

Reference yield:

bicyclo[2.2.1]hepta-2,5-diene (121-46-0) → 2-Azabicyclo<3.2.1>-oct-6-en (71017-41-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) heating

2: LiAlH₄

With lithium aluminium tetrahydride;

Reference yield:

→ 2-Azabicyclo<3.2.1>-oct-6-en (71017-41-9)

Guidance literature:

entspr. Sulfonamid 3, LAH;

DOI:10.1016/0040-4020(79)85013-9

upstream raw materials:

2-phenylsulfonyl-2-azabicyclo<3.2.1>octa-3,6-diene

bicyclo[2.2.1]hepta-2,5-diene

Downstream raw materials:

2-phenylsulfonyl-2-azabicyclo<3.2.1>oct-6-ene

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