structure of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

CAS No.: 1003-83-4
M. Wt: 128.169
M. Fa: C7H12O2
InChI Key: ATZGUXPLGMKHOR-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

CAS Number

1003-83-4

EC Number

445-850-7

MDL Number

MFCD22054122

IUPAC Name

2,2-dimethyl-4,7-dihydro-1,3-dioxepine

InChI

InChI=1S/C7H12O2/c1-7(2)8-5-3-4-6-9-7/h3-4H,5-6H2,1-2H3

InChIKey

ATZGUXPLGMKHOR-UHFFFAOYSA-N

Canonical SMILES

CC1(OCC=CCO1)C

UNII

VBZ3ZAK4EJ

UNSPSC Code

12352100

Physical and chemical properties of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

Boiling Point

150.0±35.0 °C at 760 mmHg

Density

0.9±0.1 g/cm3

Exact Mass

128.083725

Flash Point

34.0±21.5 °C

Index of Refraction

1.424

LogP

0.64

Molecular Formula

C7H12O2

Molecular Weight

128.169

PSA

18.46000

Vapour Pressure

5.0±0.3 mmHg at 25°C

Safety Information of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

2,2-Dimethyl-4,7-dihydro-1,3-dioxepine finds applications in various fields:

  • Pharmaceuticals: It serves as an important intermediate in the synthesis of drugs and bioactive compounds.
  • Organic Synthesis: Its unique structure allows it to be used in the development of complex organic molecules.
  • Material Science: Research into its properties may lead to applications in materials with specific chemical or physical characteristics .

Interaction Studies of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

Studies on the interactions of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine with other compounds have highlighted its potential reactivity and compatibility with various reagents. For example:

  • Reactivity with Copper Catalysts: The compound has been shown to effectively participate in copper-catalyzed reactions, indicating its utility in synthetic methodologies .
  • Biological Interactions: Preliminary research suggests that derivatives of this compound may interact with biological targets relevant to medicinal chemistry .

Biological Activity of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

The biological activity of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine has been explored in various studies. While specific pharmacological effects are not extensively documented, its derivatives have been noted for potential bioactivity. For instance, certain substituted dioxepines have demonstrated antimicrobial and anti-inflammatory properties. The mechanisms of action often relate to their ability to interact with biological targets through their heterocyclic structure .

Physical sample testing spectrum (NMR) of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

Physical sample testing spectrum (NMR) of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

Retrosynthesis analysis of 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

  • Route#1

    Cas:116-11-0
    Cas:6117-80-2
    Cas:1003-83-4
  • Route#2

    Cas:6117-80-2
    Cas:67-64-1
    Cas:1003-83-4