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117408-98-7

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117408-98-7 Structure

117408-98-7 Structure
IdentificationBack Directory
[Name]

2-[(4S)-4-(1,1-diMethylethyl)-4,5-dihydro-2-oxazolyl]-Pyridine
[CAS]

117408-98-7
[Synonyms]

(S)-tBu-Pyox
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline >
(S)-4-(tert-Butyl)-2-(2-pyridyl)-4,5-dihydrooxazole
2-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]pyridine
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline
(S)-4-(tert-butyl)-2-(pyridin-2-yl)-4,5-dihydrooxazole
(4S)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
2-[(4S)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]pyridine,99%e.e.
2-[(4S)-4,5-dihydro-4-(1,1-dimethylethyl)-2-oxazolyl]-Pyridine
2-[(4S)-4-(1,1-diMethylethyl)-4,5-dihydro-2-oxazolyl]-Pyridine
Pyridine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
2-[(4S)-4-(2-Methyl-2-propanyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine
[Molecular Formula]

C12H16N2O
[MDL Number]

MFCD22200533
[MOL File]

117408-98-7.mol
[Molecular Weight]

204.268
Chemical PropertiesBack Directory
[Melting point ]

70.0 to 74.0 °C
[Boiling point ]

125-135 °C(Press: 0.1 Torr)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

slightly sol. in dichloromethane
[form ]

powder to crystal
[pka]

3.79±0.70(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C12H16N2O/c1-12(2,3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m1/s1
[InChIKey]

JDOAIDZRVWJBEG-SNVBAGLBSA-N
[SMILES]

C1(C2=N[C@@H](C(C)(C)C)CO2)=NC=CC=C1
Questions And AnswerBack Directory
[Uses]

(S)-4-tert-butyl-2-(2-nitrophenyl)oxazoline is used as a chiral catalyst and oxazoline ligand.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2934.99.4400
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

2-[(4S)-4-(1,1-diMethylethyl)-4,5-dihydro-2-oxazolyl]-Pyridine(117408-98-7)1HNMR
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