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ChemicalBook--->CAS DataBase List--->95530-58-8

95530-58-8

95530-58-8 Structure

95530-58-8 Structure
IdentificationMore
[Name]

(R)-(+)-4-Isopropyl-2-oxazolidinone
[CAS]

95530-58-8
[Synonyms]

(4R)-4-ISOPROPYL-1,3-OXAZOLIDIN-2-ONE
(4R)-(+)-4-ISOPROPYL-2-OXAZOLIDINONE
(4R)-(+)-ISOPROPYL-2-OXAZOLIDINONE
4-R-ISOPROPYL-OXAZOLIDIN-2-ONE
(R)-(+)-4-ISOPROPYL-2-OXAZOLIDINONE
(R)-4-ISOPROPYL-2-OXAZOLIDINONE
(R)-(+)-4-ISOPROPYL-2-OXAZOLIDINONE, 99% (99% EE/GLC)
(R)-Isopropyloxazolidinone
(4R)-(+)-4-Isopropyl-2-oxazolidinone, 99% (99% ee)
2-Oxazolidinone, 4-(1-methylethyl)-, (4R)-
(4R)-(+)-4-Isopropyl-2-oxazolidinone, 98+%
4-isopropyl-2-oxazolidinone
R-4-Isopropyl-2-oxazolidone
(4R)-(+)-4-Isopropyl-2-oxazolidone
(4R)-4-Propan-2-yl-1,3-oxazolidin-2-one
[Molecular Formula]

C6H11NO2
[MDL Number]

MFCD00075172
[Molecular Weight]

129.16
[MOL File]

95530-58-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

70-73 °C
[alpha ]

-18 º (c=1, ethanol)
[Boiling point ]

239.22°C (rough estimate)
[density ]

1.04 g/cm3
[refractive index ]

1.4300 (estimate)
[storage temp. ]

0-6°C
[solubility ]

very faint turbidity in EtOH
[form ]

Crystalline Powder
[pka]

12.72±0.40(Predicted)
[color ]

White
[Optical Rotation]

[α]20/D +17°, c = 6 in ethanol
[Water Solubility ]

Soluble
[Detection Methods]

HPLC(Purity),GC
[BRN ]

5376658
[InChI]

InChI=1S/C6H11NO2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m0/s1
[InChIKey]

YBUPWRYTXGAWJX-YFKPBYRVSA-N
[SMILES]

O1C[C@@H](C(C)C)NC1=O
[CAS DataBase Reference]

95530-58-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

3
[HS Code ]

29349990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(R)-(+)-4-Isopropyl-2-oxazolidinone(95530-58-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

(R)-4-Isopropyloxazolidin-2-one is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
[Synthesis]

(R)-(-)-2-Amino-3-methyl-1-butanol

4276-09-9

Carbon dioxide

124-38-9

(R)-(+)-4-Isopropyl-2-oxazolidinone

95530-58-8

To a dry Schlenk tube containing DMSO-d6 (1 mL) and cesium carbonate (33 mg, 0.1 mmol) was added (S)-1a (0.1114 mL, 1 mmol). The reaction mixture was frozen in a liquid nitrogen bath (-196 °C), followed by evacuation to remove air and replacement with CO2 gas. After thawing to 25 °C, a balloon (1 L) containing CO2 was connected to the reaction tube. The reaction system was stirred at 150°C for 24 hours. Upon completion of the reaction, the crude product was analyzed by 1H NMR and the yield was calculated using the internal standard N,N-dimethylformamide as reference. Subsequently, DMSO-d6 was removed by distillation under reduced pressure conditions (6 mmHg, 50 °C).The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate, 3:1) to afford the target product (S)-4-isopropyloxazolidin-2-one ((S)-2a) as a white solid in 80% isolated yield (103.3 mg, 0.80 mmol).

[References]

[1] Journal of Organic Chemistry, 2000, vol. 65, # 15, p. 4759 - 4761
[2] Tetrahedron Letters, 2013, vol. 54, # 35, p. 4717 - 4720
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(+)-4-Isopropyl-2-oxazolidinone(95530-58-8)1HNMR
(R)-(+)-4-Isopropyl-2-oxazolidinone(95530-58-8)Raman
(R)-(+)-4-Isopropyl-2-oxazolidinone(95530-58-8)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(4R)-(+)-4-Isopropyl-2-oxazolidinone, 98%(95530-58-8)
[Alfa Aesar]

(4R)-(+)-4-Isopropyl-2-oxazolidinone, 98+%(95530-58-8)
[Sigma Aldrich]

95530-58-8(sigmaaldrich)
[TCI AMERICA]

(R)-4-Isopropyl-2-oxazolidinone,>98.0%(GC)(95530-58-8)
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