2-Phenyl-1,3-dioxan-5-one

Name: 2-Phenyl-1,3-dioxan-5-one
Brand: ChemScene
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CAS No. 52941-82-9
Cat. No. CS-0161435
Purity≥98%
MDL No.MFCD18805637

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 52941-82-9
Cat. No. CS-0161435
Purity ≥98%
MDL No. MFCD18805637
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀O₃
Molecular Weight 178.18
Synonym(s) 1,3-Dioxan-5-one,2-phenyl-(9CI)
SMILES O=C1COC(C2=CC=CC=C2)OC1

Description

This 2-phenyl-1,3-dioxan-5-one features a stabilized β-keto carbonyl motif within a rigid six-membered ring framework. The phenyl substituent enhances electron delocalization and improves solubility in polar organic solvents. This compound serves as a key synthon for constructing complex heterocycles and functionalized intermediates under mild conditions.

Application

2-Phenyl-1,3-dioxan-5-one serves as a versatile synthon in organic synthesis, enabling efficient access to functionalized cyclohexane derivatives. Its α,β-unsaturated γ-lactone framework facilitates nucleophilic additions and conjugate reactions, while the phenyl group enhances stability and modulates reactivity. The compound exhibits excellent bench stability and compatibility with common protecting group strategies, making it a practical building block for complex molecule assembly.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 35.53
LogP 1.3011
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Phenyl-1,3-dioxan-5-one

CAS No. 52941-82-9

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