10341-27-2

Basic information

• Product Name: 2,7-dimethyl-1,4-oxazepan-5-one
• CAS NO: 10341-27-2
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.1836
• Mol File: 10341-27-2.mol

Chemical Properties

• Boiling Point: 296°C at 760 mmHg
• Flash Point: 132.8°C
• Density: 0.969g/cm³
• Vapor Pressure: 0.00147mmHg at 25°C
• Refractive Index: 1.422
• CAS DataBase Reference: 2,7-dimethyl-1,4-oxazepan-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,7-dimethyl-1,4-oxazepan-5-one(10341-27-2)
• EPA Substance Registry System: 2,7-dimethyl-1,4-oxazepan-5-one(10341-27-2)

Safety Data

• Hazardous Substances Data: 10341-27-2(Hazardous Substances Data)

Usage

Chemical Structure

It is a seven-membered heterocyclic compound.
The ring contains both oxygen and nitrogen atoms.
The structure includes two methyl groups at positions 2 and 7.

Physical Properties

Appearance: Colorless solid
Odor: Faint

Applications

Building Block: Used in the synthesis of other compounds.
Precursor: Utilized for the synthesis of pharmaceuticals and agrochemicals.

Significance

Versatile Utility: Oxazepane finds applications in organic chemistry and drug discovery.
Research Importance: It plays a crucial role in chemical research and development.

Potential Uses

Organic Synthesis: Acts as a versatile intermediate in organic synthesis.
Drug Discovery: Serves as a starting material for the development of pharmaceutical compounds.

Chemical Class

Heterocyclic compound

Functional Groups

Oxazepane Ring: Comprises the main structural motif.
Methyl Groups: Present at positions 2 and 7, contributing to the compound's properties.

Utility in Drug Development

Oxazepane's structural features make it a valuable scaffold for designing bioactive molecules.

Chemical Reactivity

Ring Reactivity: The presence of the heterocyclic ring influences its reactivity in various chemical transformations.
Functional Group Reactivity: Functional groups such as the carbonyl group (C=O) may undergo typical chemical reactions.

Importance in Agrochemicals

Plays a role in the synthesis of compounds used in agricultural applications.

Potential for Modification

Its structure allows for modifications to tailor properties for specific applications.

Industrial Significance

Widely used in chemical industries for synthesis purposes.

Upstream product

• 26226-11-9 N-(2-hydroxypropyl)-3-oxobutanamide 
• 26244-74-6 2,7-dimethyl-3,4-dihydro-2H-[1,4]oxazepin-5-one 
• 752244-29-4 (2R,6S)-2,6-dimethyltetrahydro-4H-pyran-4-one 

Relevant articles and documents

Synthesis and Conformational Studies of Dipeptides Constrained by Disubstituted 3-(Aminoethoxy)propionic Acid Linkers

A series of cyclic compounds with dimethyl-substituted 3-(aminoethoxy)propionic acid linkers have been prepared as potential β-turn mimics. The desired linkers were prepared from disubstituted pyrones, which were coupled with dipeptides and then subjected

7-Methyl-2,3,4,5-tetrahydro-1,4-oxazepin-5-one and the Dioxepinone Analogue: Diastereofacial Selectivity in Catalytic Hydrogenation and the Explanation

Catalytic hydrogenation of the title compound proceeds from the site anti to the 7-methyl group to give the cis-dimethyl derivative; a possible stereoelectronic effect accounting for this selectivity is proposed based on the conformational analysis of the