4-Methyl-3-oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one

Base Information

• Chemical Name: 4-Methyl-3-oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one
• CAS No.: 116178-22-4
• Molecular Formula: C₆H₇NO₂
• Molecular Weight: 125.127
• DSSTox Substance ID: DTXSID10555339
• Mol file: 116178-22-4.mol

Synonyms:116178-22-4;4-METHYL-3-OXA-6-AZATRICYCLO[3.2.0.02,4]HEPTAN-7-ONE;3-Oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one,4-methyl-(9CI);DTXSID10555339;AKOS006381002;4-Methyl-3-oxa-6-azatricyclo[3.2.0.0~2,4~]heptan-7-one

Chemical Property of 4-Methyl-3-oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one

Chemical Property:

• PSA: 45.12000
• LogP: -0.45200
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.047678466
• Heavy Atom Count: 9
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3C(C1O2)C(=O)N3

Technology Process of 4-Methyl-3-oxa-6-azatricyclo[3.2.0.02,4]heptan-7-one

There total 6 articles about 4-Methyl-3-oxa-6-azatricyclo[3.2.0.02,4]heptan-7-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: 100.0%

6-(tert-Butyl-dimethyl-silanyl)-4-methyl-3-oxa-6-aza-tricyclo[3.2.0.02,4]heptan-7-one (116200-95-4) → 4-Methyl-3-oxa-6-aza-tricyclo[3.2.0.02,4]heptan-7-one (116178-22-4)

Guidance literature:

With aluminum oxide; In methanol; diethyl ether;

Reference yield: 95.0%

6-(tert-butyldimethylsilyl)-4-methyl-6-aza-3-oxatricyclo<3.2.0.02,4>heptan-7-one (116200-95-4) → 4-methyl-6-aza-3-oxatricyclo<3.2.0.02,4>heptan-7-one (116178-22-4)

Guidance literature:

With methanol; aluminum oxide; In diethyl ether;

DOI:10.1248/cpb.38.2911

Reference yield:

6-methyl-2-azabicyclo<2.2.0>hex-5-en-3-one (100465-35-8) → 4-Methyl-3-oxa-6-aza-tricyclo[3.2.0.02,4]heptan-7-one (116178-22-4)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide

2: m-chloroperbenzoic acid (m0CPBA)

3: 100 percent / Al₂O₃ / diethyl ether; methanol

With aluminum oxide; 3-chloro-benzenecarboperoxoic acid; In methanol; diethyl ether; N,N-dimethyl-formamide;

upstream raw materials:

6-(tert-butyldimethylsilyl)-4-methyl-6-aza-3-oxatricyclo<3.2.0.0^2,4>heptan-7-one

6-methyl-2-azabicyclo<2.2.0>hex-5-en-3-one

2-(tert-butyldimethylsilyl)-6-methyl-2-azabicyclo<2.2.0>hex-5-en-3-one

6-(tert-Butyl-dimethyl-silanyl)-4-methyl-3-oxa-6-aza-tricyclo[3.2.0.0^2,4]heptan-7-one