2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione

Basic Information

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CAS Number

15231-78-4

Molecular Formula

C12H12O4

Molecular Weight

220.22 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

135-140 °C

Boiling Point

321.16°C (rough estimate)

Flash Point

237.5°C

Refractive Index

1.7160 (estimate)

SMILES

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CC1(OC(=O)C(C(=O)O1)C2=CC=CC=C2)C

InChI

InChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChIKey

NTUAHNQWHPQAMB-UHFFFAOYSA-N

LogP

1.6062999999999998

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

282

Synonyms & References

English

2,2-dimethyl-5-phenyl-[1,3]dioxane-4,6-dione
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-phenyl-
FT-0609265
W-200130
DTXSID20164996
AKOS005257530
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-phenyl-
CS-0447259
NS00052313
2.2-dimethyl-5-phenyl-1.3-dioxane-4.6-dione
AS-65819
5-Phenylmeldrum's Acid
AI3-39040
5-BENZHYDRYL-1H-PYRAZOLE,97
EINECS 239-278-5
SCHEMBL1713659
2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
D89992
15231-78-4
GEO-01209
A884028
MFCD00006636
NTUAHNQWHPQAMB-UHFFFAOYSA-N
5-Phenyl-Meldrum's acid
ZB012849
D2095
ST50308378
1,3-Dioxan

MDL Number

MFCD00006636

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4)?

2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4) is a white crystalline solid with a molecular weight of approximately 282.27 g/mol. It has limited solubility in water but is more soluble in organic solvents such as ethanol, acetone, and dimethyl sulfoxide. The compound exhibits good stability under normal conditions but is reactive towards reducing agents. Its reactivity makes it useful in various organic synthesis reactions.

How is 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4) typically synthesized?

2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4) is commonly synthesized via the condensation of 2,2-dimethyl-5-phenyl-1,3-dioxane with acetic anhydride in the presence of a strong acid catalyst such as concentrated sulfuric acid. The reaction involves the formation of an acyl intermediate and subsequent dehydration to yield the dione. The process typically has good yield and selectivity.

What industries use 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4)?

2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4) is primarily used in the pharmaceutical industry as a precursor in the synthesis of certain drugs. It also finds applications in the polymer industry, where it serves as a monomer for the production of special polymers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4)?

When handling 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS: 15231-78-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize inhalation risks. In the event of a spill, it is recommended to use appropriate spill control materials and consult the Safety Data Sheet (SDS) for detailed cleanup procedures.