4-Oxatricyclo[3.2.1.02,7]octan-3-one

Base Information

• Chemical Name: 4-Oxatricyclo[3.2.1.02,7]octan-3-one
• CAS No.: 5649-99-0
• Molecular Formula: C₇H₈O₂
• Molecular Weight: 124.139
• NSC Number: 120463
• DSSTox Substance ID: DTXSID10298072
• Nikkaji Number: J1.702.435C

Synonyms:5649-99-0;4-oxatricyclo[3.2.1.02,7]octan-3-one;NSC120463;DTXSID10298072;NSC-120463

Chemical Property of 4-Oxatricyclo[3.2.1.02,7]octan-3-one

Chemical Property:

• Vapor Pressure: 0.00292mmHg at 25°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 175

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3C1C3C(=O)O2

Technology Process of 4-Oxatricyclo[3.2.1.02,7]octan-3-one

There total 3 articles about 4-Oxatricyclo[3.2.1.02,7]octan-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: 51.6%

tricyclo[2.2.1.02,6]heptan-3-one (695-05-6) → 4-oxatricyclo[3.2.1.02,7]octan-3-one (5649-99-0)

Guidance literature:

With sodium hypochlorite; In water; at 0 - 20 ℃; for 48h;

DOI:10.1021/jo0159587

Reference yield:

tricyclo[2.2.1.02,6]heptan-3-one (695-05-6) → 3-azatricyclo[3.2.1.02,7]octan-4-one (4396-25-2) + 4-oxatricyclo[3.2.1.02,7]octan-3-one (5649-99-0) + 4-azatricyclo[3.2.1.02,7]octan-3-one

Guidance literature:

With sodium hypochlorite; ammonia; In water; at 4 ℃; pH=11;

DOI:10.1021/jo0159587

Reference yield:

→ 4-oxatricyclo[3.2.1.02,7]octan-3-one (5649-99-0)

Guidance literature:

Verb. 11, Thermolyse;

upstream raw materials:

tricyclo[2.2.1.0^2,6]heptan-3-one

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