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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 1003-83-4

  • Cat. No. CS-0196450
  • Molecule weight128.17
  • Purity≥98%
  • MDL No.MFCD22054122

*For research and further manufacturing use only, not for direct human use.

2,2-Dimethyl-4,7-dihydro-1,3-dioxepine|CS-0196450

Structure of 1003-83-4

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General Information

  • CAS No. 1003-83-4
  • Cat. No. CS-0196450
  • Purity ≥98%
  • MDL No. MFCD22054122
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) 4,7-Dihydro-2,2-dimethyl-1,3-dioxepine
  • SMILES CC1(C)OCC=CCO1

Description

This 2,2-dimethyl-4,7-dihydro-1,3-dioxepine features a stable, moisture-tolerant dioxepine ring system that integrates readily into complex molecular architectures. Its electron-rich heterocyclic core enables efficient coupling in synthetic sequences, particularly in the construction of oxygen-containing macrocycles and biologically relevant scaffolds under standard conditions.

Application

2,2-Dimethyl-4,7-dihydro-1,3-dioxepine serves as a stable, bench-accessible synthon for the construction of oxygen-containing heterocycles. Its electrophilic C4 position enables regioselective nucleophilic addition, facilitating the synthesis of functionalized dihydrofuran derivatives and complex carbohydrate analogs. The molecule exhibits excellent functional group tolerance and compatibility with standard coupling protocols, enabling efficient incorporation into diverse synthetic scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   1.3255
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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