CAS 1003-83-4

4,7-Dihydro-2,2-dimethyl-1,3-dioxepin

Description:

4,7-Dihydro-2,2-dimethyl-1,3-dioxepin, with the CAS number 1003-83-4, is a cyclic ether compound characterized by its unique dioxepin structure, which consists of a six-membered ring containing two oxygen atoms. This compound features two methyl groups at the 2-position, contributing to its stability and influencing its reactivity. The presence of the dioxepin ring imparts specific chemical properties, such as potential reactivity in nucleophilic substitution reactions and the ability to undergo ring-opening under certain conditions. It is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. The compound is of interest in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its physical properties, such as boiling point and solubility, can vary based on the specific conditions and purity of the sample. Safety data should be consulted for handling, as with any chemical substance, to ensure proper precautions are taken during use.

Formula: C₇H₁₂O₂

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

InChI key: InChIKey=ATZGUXPLGMKHOR-UHFFFAOYSA-N

SMILES: CC1(C)OCC=CCO1

Synonyms:

• 1,3-Dioxepin, 4,7-Dihydro-2,2-Dimethyl-
• 2,2-Dimethyl-1,3-dioxacyclohept-5-ene
• 2,2-Dimethyl-4,7-dihydro-1,3-dioxepin
• 2,2-Dimethyl-4,7-dihydro-2H-1,3-dioxepine
• 2,2-Dimethyl-4,7-dihydro-2H-[1,3]dioxepin
• 4,7-Dihydro-2,2-dimethyl-1,3-dioxepin
• NSC 693424
• 2,2-Dimethyl-4,7-dihydro-1,3-dioxepine

2,2-Dimethyl-1,3-dioxacyclohept-5-ene

CAS: 1003-83-4

Formula: C₇H₁₂O₂

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 128.17

Ref: 3B-D5199

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

CAS: 1003-83-4

Formula: C₇H₁₂O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 128.1690

Ref: IN-DA0001I1

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

CAS: 1003-83-4

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

Purity: 98%

Molecular weight: 128.16898g/mol

Ref: 54-OR302752

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

CAS: 1003-83-4

Color and Shape: Neat

Ref: 86-MM0021.15

Gadobutrol Impurity 29

CAS: 1003-83-4

Formula: C₇H₁₂O₂

Molecular weight: 128.17

Ref: 4Z-G-3135

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

CAS: 1003-83-4

Formula: C₇H₁₂O₂

Purity: 98% GC

Molecular weight: 128.171

Ref: 10-F462126

4,7-Dihydro-2,2-dimethyl-1,3-dioxepin

Controlled Product

CAS: 1003-83-4

Applications 4,7-Dihydro-2,2-dimethyl-1,3-dioxepin is an intermediate in the synthesis of Calcobutrol (C145700), a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agent for Magnetic Resonance Imaging (MRI).

Formula: C₇H₁₂O₂

Color and Shape: Neat

Molecular weight: 128.169

Ref: TR-D454180

4,7-Dihydro-2,2-dimethyl-1,3-dioxepin

CAS: 1003-83-4

4,7-Dihydro-2,2-dimethyl-1,3-dioxepin is a cyclopropane. It has been used as a model substrate for the study of carbene mechanisms. The cyclopropanation of 4,7-dihydro-2,2-dimethyl-1,3-dioxepin is catalyzed by a metal carbene complex. The reaction mechanism and energetics have been studied in detail using dimethyl diazomalonate as the substrate.

Formula: C₇H₁₂O₂

Purity: Min. 95%

Molecular weight: 128.17 g/mol

Ref: 3D-BAA00383