6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one

Basic Information

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CAS Number

72324-46-0

Molecular Formula

C8H12O3

Molecular Weight

156.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCC1=CC(=O)OC(O1)(C)C

InChI

InChI=1S/C8H12O3/c1-4-6-5-7(9)11-8(2,3)10-6/h5H,4H2,1-3H3

InChIKey

BHYAGWPOZQFMQF-UHFFFAOYSA-N

LogP

1.5897999999999999

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

203

Synonyms & References

English

72324-46-0
SCHEMBL7235362
XCA32446
6-ethyl-2,2-dimethyl-1,3-dioxin-4-one
SB38456
4H-1,3-Dioxin-4-one, 6-ethyl-2,2-dimethyl-
6-Ethyl-2,2-dimethyl-[1,3]dioxin-4-one
6-ethyl-2,2-dimethyl-2,4-dihydro-1,3-dioxin-4-one
DTXSID10449123
MFCD20278244
6-ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one
CS-0340641
BHYAGWPOZQFMQF-UHFFFAOYSA-N
6-Ethyl-2,2-dimethyl-4-H-1,3-dioxin-4-one

MDL Number

MFCD20278244

FAQ

What are the physical and chemical properties of 6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0)?

The compound 6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0) is a crystalline solid with a molecular weight of approximately 216.25 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is a weak acid and shows reactivity towards nucleophiles. It also exhibits good solubility in polar solvents.

How is 6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0) typically synthesized?

6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0) is commonly synthesized via a multistep process involving the protection of a hydroxyl group, followed by alkylation and subsequent deprotection. Common synthesis methods include the use of acetyl chloride as the acylating agent and sodium hydride as the base. The overall yield is around 70-80%, with high selectivity for the desired product.

What industries use 6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0)?

6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0) is used in the pharmaceutical industry for the synthesis of certain drug compounds. It is also utilized in the polymer industry as a monomer for the production of functional polymers with specific properties. Additionally, it can be employed in the sensor and semiconductor industries due to its chemical reactivity and stability.

What precautions should be taken when handling 6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0)?

When handling 6-Ethyl-2,2-dimethyl-4H-1,3-dioxin-4-one (CAS: 72324-46-0), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a well-ventilated area and away from sources of heat and potential ignition. Spills should be cleaned up using absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures.