2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one

Name: 2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 130473-38-0
Cat. No. CS-0312177
Molecule weight184.19
Purity≥96%
MDL No.None

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2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one|CS-0312177

Structure of 130473-38-0

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General Information

CAS No. 130473-38-0
Cat. No. CS-0312177
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₂O₄
Molecular Weight 184.19
Synonym(s) 2,2-dimethyl-6-(2-oxopropyl)-1,3-dioxin-4-one
SMILES O=C1OC(C)(C)OC(CC(C)=O)=C1

Description

This 2,2-dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one features a sterically hindered dioxinone core with a ketone-functionalized side chain, enabling selective conjugation in synthetic workflows. The electron-deficient ring system facilitates nucleophilic attack, while the dimethyl substitution enhances stability under standard conditions.

Application

2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one serves as a versatile synthon in heterocyclic synthesis, leveraging its α,β-unsaturated γ-lactone framework for Diels-Alder reactions and Michael additions. The gem-dimethyl substitution enhances bench stability and facilitates purification, while the oxopropyl side chain enables downstream functionalization. This scaffold functions reliably in building complex cyclic architectures under standard laboratory conditions.

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 52.6
LogP 1.1589
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Fatty chain compounds

Key Words

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2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one

CAS No. 130473-38-0

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