1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione

Basic Information

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CAS Number

77-41-8

Molecular Formula

C12H13NO2

Molecular Weight

203.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

52-53°

Boiling Point

bp0.1 121-122°

Density

1.1255 (rough estimate)

Refractive Index

1.5440 (estimate)

SMILES

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CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3

InChIKey

AJXPJJZHWIXJCJ-UHFFFAOYSA-N

LogP

1.3329999999999997

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

294

Safety Information

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Toxicity

LD50 orally in mice: 0.9 g/kg (Marshall, Vallance)

Synonyms & References

English

2,5-Pyrrolidinedione, 1,3-dimethyl-3-phenyl-
UNII-0G76K8X6C0
SCHEMBL34852
Mesuximidum
EN300-9537236
Mesuximida (INN-Spanish)
Mesuximida [INN-Spanish]
1ST165599
DB05246
CCG-213444
N-Methyl-.alpha.-methyl-.alpha.-phenylsuccinimide
Mesuximide (INN)
MFCD00072132
MESUXIMIDE [MART.]
D00404
CS-0013113
1,3-Dimethyl-3-phenyl-2,5-dioxopyrrolidine
5-21-11-00209 (Beilstein Handbook Reference)
.alpha.-Methylphensuximide
Methsuximid
Metosuccimmide [DCIT]
Mesuximida
METHSUXIMIDE (USP-RS)
Z649373426
(+/-)-N,2-DIMETHYL-2-PHENYLSUCCINIMIDE
AC9293
1,3-dimethyl-3-phenylpyrrolidine-2,5-dione
N-Methyl-.alpha.,.alpha.-methylphenylsuccinimide
METHSUXIMIDE [MI]
BRN 0168315
NSC-760075

MDL Number

MFCD00072132

FAQ

What are the physical and chemical properties of 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8)?

1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8) is a crystalline solid with a molecular weight of approximately 214.27 g/mol. It has a melting point of 65-67°C and is slightly soluble in water. This compound is known for its reactivity towards nucleophiles and its ability to form stable adducts. It is also soluble in common organic solvents such as ethanol and acetone.

How is 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8) typically synthesized?

1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8) is typically synthesized through a condensation reaction between phenylacetic acid and methyl acetoacetate, using an appropriate base such as potassium carbonate as a catalyst. The reaction is carried out in a solvent like acetonitrile at an elevated temperature to achieve good yield and selectivity.

What industries use 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8)?

1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various drugs and can also be used in the production of certain polymers with specific mechanical properties. Additionally, it has potential applications in sensor technology and semiconductor manufacturing due to its reactivity and structural properties.

What precautions should be taken when handling 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8)?

When handling 1,3-Dimethyl-3-phenyl-2,5-pyrrolidinedione (CAS: 77-41-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and sources of ignition. In case of a spill, it should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.