3,3-Dimethyldihydro-2H-pyran-4(3H)-one

Basic Information

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CAS Number

625099-31-2

Molecular Formula

C7H12O2

Molecular Weight

128.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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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CC1(COCCC1=O)C

InChI

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

InChIKey

BNTLPZXIKVNRMC-UHFFFAOYSA-N

LogP

1.002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

127

Synonyms & References

English

3,3-Dimethyldihydro-2H-pyran-4(3H)-one
3,3-dimethyloxan-4-one
3,3-dimethyl-tetrahydropyran-4-one
MFCD20484202
DA-04295
AS-51481
BNTLPZXIKVNRMC-UHFFFAOYSA-N
DTXSID40634787
A868452
3,3-dimethyltetrahydropyran-4-one
4H-Pyran-4-one, tetrahydro-3,3-dimethyl-
CS-0051615
AMY6085
3,3-Dimethyloxan-4-one
SCHEMBL4172790
P12769
EN300-138102
AKOS016011536
625099-31-2
SB18551

MDL Number

MFCD20484202

FAQ

What are the physical and chemical properties of 3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2)?

3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2) is a colorless crystalline solid with a molecular weight of approximately 128.16 g/mol. It has a melting point of 51-52°C and is slightly soluble in water but highly soluble in organic solvents such as methanol and ethanol. This compound is known for its stability under normal conditions but can undergo dehydration reactions under acidic conditions.

How is 3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2) typically synthesized?

3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2) is typically synthesized through the condensation of 1,3-dimethyl-2-butene with acetic anhydride. The reaction is catalyzed by a strong acid like sulfuric acid, and the product is obtained with good yield. The process involves the formation of a cyclic ester through a condensation reaction.

What industries use 3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2)?

3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the production of certain antibiotics and anti-inflammatory drugs. It is also utilized in the polymer industry for the development of special plastics and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2)?

When handling 3,3-Dimethyldihydro-2H-pyran-4(3H)-one (CAS: 625099-31-2), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure to the chemical. Spills should be cleaned up using absorbent materials, and the material safety data sheet (MSDS) should be consulted for detailed instructions. It is also crucial to store the compound in a cool, dry place away from direct sunlight and heat sources.