5,5-Dimethyl-1,3-oxazolidine-2,4-dione

Basic Information

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CAS Number

695-53-4

Molecular Formula

C5H7NO3

Molecular Weight

129.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

76.0 to 80.0 deg-C

Boiling Point

137°C/6mmHg

Density

1.3816 (rough estimate)

Flash Point

44.2°C

Refractive Index

1.4220 (estimate)

SMILES

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CC1(C(=O)NC(=O)O1)C

InChI

InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)

InChIKey

JYJFNDQBESEHJQ-UHFFFAOYSA-N

LogP

0.03139999999999987

pKa

6.13(at 37℃)

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

173

Safety Information

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Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Toxicity

LD50 i.v. in mice: 450 mg/kg (Stoughton)

Synonyms & References

English

NSC-30152
5,5-Dwumetylooksazolidyno-2,4-dion [Polish]
KBioGR_001095
BAY 1400Z
5, 5-Dimethyloxazolidine-2,4-dione
NSC756741
FT-0646768
Nortrimethadione
Spectrum2_000108
FT-0619784
SCHEMBL34862
KBio2_003849
DIMETHADIONE [USAN]
KBio1_000939
2,4-Oxazolidinedione, 5, 5-dimethyl-
D03838
BAX 1400Z
CHEBI:94613
Dimethadione (USAN/INN)
CAS-695-53-4
NCGC00016532-03
AB00051972
Spectrum5_000911
AI3-18201
NCGC00016532-01
KBio2_006417
CCG-38926
Prestwick_55
5,5-Dimethyl-oxazolidine-2,4-dione
DIMETHADIONE [INN]
SR-05000001609-2

MDL Number

MFCD00005379

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4)?

5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4) is a white crystalline solid with a molecular weight of approximately 146.17 g/mol. It is slightly soluble in water but soluble in common organic solvents like methanol, ethanol, and acetone. The compound exhibits good reactivity towards nucleophiles and is used as a reagent in various chemical transformations. It has a boiling point of about 129°C and a melting point of 76-78°C.

How is 5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4) typically synthesized?

5,5-Dimethyl-1,3-oxazolidine-2,4-dione can be synthesized via the Strecker synthesis, which involves the reaction of an aldehyde, ammonia, and hydrogen cyanide in the presence of a metal catalyst such as iron. This process yields the compound with good selectivity and high yield. Alternative methods include the condensation of dimethyl acetylenedicarboxylate with hydrazine, followed by the formation of the oxazolidine-2,4-dione ring.

What industries use 5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4)?

5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the polymer industry for the synthesis of specific polymers and as a precursor in the manufacturing of certain electronic materials. Additionally, it is used in the preparation of sensors and semiconductors.

What precautions should be taken when handling 5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4)?

When handling 5,5-Dimethyl-1,3-oxazolidine-2,4-dione (CAS: 695-53-4), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood. Spills should be contained and cleaned up using appropriate absorbents, and the area should be well-ventilated. In case of skin contact, the affected area should be washed immediately with water. For more detailed information, refer to the safety data sheet (SDS).