CID 12414281

Base Information

• Chemical Name: CID 12414281
• CAS No.: 68235-19-8
• Molecular Formula: C₇H₉NO₃
• Molecular Weight: 155.153
• DSSTox Substance ID: DTXSID901247519
• Mol file: 68235-19-8.mol

Synonyms:68235-19-8;DTXSID901247519;4-ACETYL-2-OXA-4-AZABICYCLO[3.2.0]HEPTAN-3-ONE

Chemical Property of CID 12414281

Chemical Property:

• Boiling Point: 98 °C (1 mmHg)
• PSA: 46.61000
• LogP: 0.45400
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.058243149
• Heavy Atom Count: 11
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2CCC2OC1=O

Technology Process of CID 12414281

There total 4 articles about CID 12414281 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: 88.0%

ethene (74-85-1) + N-acetyl-1,3-oxazol-2-one (60759-49-1) → cis-4-Acetyl-2-oxa-4-azabicyclo<3.2.0>heptan-3-on (68235-19-8)

Guidance literature:

In acetone; at -60 ℃; for 40h; Irradiation;

Reference yield:

N-acetyl-1,3-oxazol-2-one (60759-49-1) → 4-acetyl-2-oxa-4-aza-bicyclo[3.2.0]heptan-3-one (68235-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / Irradiation

2: H₂ / Pd-C

With hydrogen; palladium on activated charcoal; In acetone;

DOI:10.1016/S0040-4039(01)94576-9

Reference yield:

4-acetyl-2-oxa-4-aza-bicyclo[3.2.0]hept-6-en-3-one (68235-21-2) → 4-acetyl-2-oxa-4-aza-bicyclo[3.2.0]heptan-3-one (68235-19-8)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/S0040-4039(01)94576-9

upstream raw materials:

4-acetyl-2-oxa-4-aza-bicyclo[3.2.0]hept-6-en-3-one

ethene

N-acetyl-1,3-oxazol-2-one