1,4-Oxazepine

Base Information

• Chemical Name: 1,4-Oxazepine
• CAS No.: 292-10-4
• Molecular Formula: C₅H₅NO
• Molecular Weight: 95.1008
• DSSTox Substance ID: DTXSID00591342
• Nikkaji Number: J327.234F
• Mol file: 292-10-4.mol

Synonyms:1,4-Oxazepine;292-10-4;[1,4]oxazepine;DTXSID00591342;WXLCDTBTIVJDCE-UHFFFAOYSA-N

Chemical Property of 1,4-Oxazepine

Chemical Property:

• PSA: 21.59000
• LogP: 0.50790
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 95.037113783
• Heavy Atom Count: 7
• Complexity: 124

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=CN=C1
• General Description: 1,4-Oxazepine, also known as 1-Oxa-4-azacycloheptatriene, is a heterocyclic compound of chemical and pharmacological interest. The efficient synthesis of its derivatives, such as [1,4]oxazepin-2-ones, has been demonstrated through a concise two-step process using Baylis-Hillman adducts and α-amino esters under mild conditions, achieving high yields and showcasing potential applications in the development of chiral heterocycles.

Refernces

A concise α-amino acid-based synthetic approach to [1,4]oxazepin-2-ones from Baylis-Hillman adducts

10.1016/j.tetlet.2009.01.048

The research aims to develop a novel two-step synthetic process for the creation of [1,4]oxazepin-2-ones, a family of chemically and pharmacologically interesting compounds, starting from Baylis–Hillman (BH) adducts. The study successfully demonstrated that this operationally simple method, performed under ambient conditions, yields 81–93% of the target [1,4]oxazepin-2-ones, thereby opening up new synthetic utility for BH adducts. Key chemicals used in the process include BH adducts, a-amino esters, and various catalysts, with KOH proving to be the most effective catalyst. The research concludes that this approach not only provides an efficient method for synthesizing 1,4-oxazepines but also highlights the potential for extending this methodology to other amino acid-derived chiral heterocycles.

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