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58311-53-8

58311-53-8 Structure

58311-53-8 Structure
IdentificationBack Directory
[Name]

(S)-3,4-Dimethyloxazolidine-2,5-dione
[CAS]

58311-53-8
[Synonyms]

(S)-3,4-Dimethyloxazolidine-2,5-dione
(4S)-3,4-Dimethyloxazolidine-2,5-dione
2,5-Oxazolidinedione, 3,4-dimethyl-, (4S)-
(L)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
[Molecular Formula]

C5H7NO3
[MDL Number]

MFCD27925868
[MOL File]

58311-53-8.mol
[Molecular Weight]

129.11
Chemical PropertiesBack Directory
[Boiling point ]

149.5±23.0 °C(Predicted)
[density ]

1.243±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[pka]

-2.02±0.40(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C5H7NO3/c1-3-4(7)9-5(8)6(3)2/h3H,1-2H3/t3-/m0/s1
[InChIKey]

WTFJJYYGWFKOQH-VKHMYHEASA-N
[SMILES]

O1C(=O)[C@H](C)N(C)C1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3,4-Dimethyloxazolidine-2,5-dione(58311-53-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

(2S)-2-[(methoxycarbonyl)(methyl)amino]propanoic acid

1085528-19-3

(S)-3,4-Dimethyloxazolidine-2,5-dione

58311-53-8

Explosion-proof operation. Synthesis of (S)-3,4-dimethyloxazolidine-2,5-dione: 1 g (6.2 mmol) of the raw material (cas:1085528-19-3) was dissolved in 3 ml of dichloromethane and stirred for 5 min at 20 °C. Subsequently, 500 μl (1.1 eq.) of thionyl chloride was added. The reaction mixture was warmed to 30 °C and maintained at this temperature for 30 min. Upon completion of the reaction, the mixture was concentrated to 1.5 times the original volume and 10 ml of n-heptane was added slowly with continuous stirring. The resulting white solid was cooled to -20°C and stirred at this temperature for 1 hour. The suspension was filtered through a sintered glass funnel and the solid was washed three times with 3 ml of n-heptane. The solid was dried in air for 2 h to give a white acicular product in a yield of 700 mg in 87.4% yield. The structure of the product was confirmed by 1H NMR (DMSO-d6, 400 MHz): δ 1.39 (d, J = 7.5 Hz, 3H); 2.83 (s, 3H); 4.40 (q, J = 7.5 Hz, 1H).

[References]

[1] Patent: US2010/113797, 2010, A1. Location in patent: Page/Page column 3-4
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