2-Azabicyclo[3.2.0]heptan-3-one

Base Information

• Chemical Name: 2-Azabicyclo[3.2.0]heptan-3-one
• CAS No.: 2183-99-5
• Molecular Formula: C₆H₉NO
• Molecular Weight: 111.144
• European Community (EC) Number: 863-549-2
• Mol file: 2183-99-5.mol

Synonyms:2-AZABICYCLO[3.2.0]HEPTAN-3-ONE;2183-99-5;2-azabicyclo[3.2.0]heptane-3-one;AKOS006358541;CS-0131293;EN300-7443733

Chemical Property of 2-Azabicyclo[3.2.0]heptan-3-one

Chemical Property:

• PSA: 29.10000
• LogP: 0.61370
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-Azabicyclo[3.2.0]heptan-3-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C1CC(=O)N2

Technology Process of 2-Azabicyclo[3.2.0]heptan-3-one

There total 6 articles about 2-Azabicyclo[3.2.0]heptan-3-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: 99.0%

2-Azabicyclo<3.2.0>hept-6-en-3-on (2410-50-6) → cis-2-azabicyclo<3.2.0>heptan-3-one (2183-99-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 1.5h; under 750.06 Torr;

Reference yield: 82.0%

1,3-dihydro-2H-azepin-2-one (2183-86-0) → cis-2-azabicyclo<3.2.0>heptan-3-one (2183-99-5)

Guidance literature:

1,3-dihydro-2H-azepin-2-one; In water; at 5 ℃; for 2h; Irradiation;

With palladium 10% on activated carbon; hydrogen; In water; at 20 ℃; for 16h; under 760.051 Torr; Temperature;

DOI:10.1021/acs.joc.7b01300

Reference yield:

2,2,2-Trichloro-N-cyclobut-2-enyl-acetamide → cis-2-azabicyclo<3.2.0>heptan-3-one (2183-99-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / CuCl / acetonitrile / 3 h / 140 °C

2: Bu₃SnH / 140 °C

With tri-n-butyl-tin hydride; copper(l) chloride; In acetonitrile;

DOI:10.1039/c39850000518

upstream raw materials:

2-Azabicyclo<3.2.0>hept-6-en-3-on

1,3-dihydro-2H-azepin-2-one

Downstream raw materials:

2-Azabicyclo<3.2.0>heptan

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