ChemicalBook--->CAS DataBase List--->131457-46-0

131457-46-0

131457-46-0 Structure

131457-46-0 Structure
IdentificationBack Directory
[Name]

(S,S)-2,2-BIS(4-PHENYL-2-OXAZOLIN-2-YL)PROPANE
[CAS]

131457-46-0
[Synonyms]

SF140002
2,2'-isopropylidenebis(4-phenyl-2-oxazoline)
(S,S)-2,2-BIS(4-PHENYL-2-OXAZOLIN-2-YL)PROPANE
(-)-2,2-BIS[(4S)-4-PHENYL-2-OXAZOLIN-2-YL]PROPANE
(S,S)-2,2'-ISOPROPYLIDENEBIS(4-PHENYL-2-OXAZOLINE)
(S)-(-)-2,2'-ISOPROPYLIDENEBIS(4-PHENYL-2-OXAZOLINE)
()-2,2′-Isopropylidenebis[(4S)-4-phenyl-2-oxazoline]
tert-butyl 3-allyl-3-hydroxyazetidine-81-carboxylate
(-)-2,2-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]propane,98%
(-)-2,2'-isopropylidenebis[(4s)-4-phenyl-2-oxazoline]
(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)>
2,2-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]propane,99%e.e.
(S,S)-2,2'-(DIMETHYLMETHYLENE)BIS(4-PHENYL-2-OXAZOLINE)
(-)-2,2-Bis[(4S)-4-phenyl-2-oxazolin-2-yl]propane,98%,99%ee
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4,5-dihydro-4-phenyl-1,3-oxazole)
Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-phenyl-, (4S,4'S)-
(S,S)-2,2′-Isopropylidene-bis(4-phenyl-2-oxazoline),(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane
(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane, (S,S)-2,2μ-Isopropylidenebis(4-phenyl-2-oxazoline)
(S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane (S,S)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)
2,2-Bis[(4S)-4,5-dihydro-4-phenyl-1,3-oxazol-2-yl]propane, (S,S)-2,2'-Isopropylidenebis(4-phenyloxazoline)
()-2,2′-Isopropylidenebis[(4S)-4-phenyl-2-oxazoline],(S,S)-2,2′-Isopropylidenebis(4-phenyl-2-oxazoline), (S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane
[Molecular Formula]

C21H22N2O2
[MDL Number]

MFCD00192245
[MOL File]

131457-46-0.mol
[Molecular Weight]

334.41
Chemical PropertiesBack Directory
[Melting point ]

37-41 °C(lit.)
[alpha ]

-150 º (C=1% IN ETOH)
[Boiling point ]

193 °C0.03 mm Hg(lit.)
[density ]

1 g/mL at 25 °C(lit.)
[refractive index ]

-155 ° (C=1, EtOH)
[Fp ]

>230 °F
[storage temp. ]

−20°C
[form ]

liquid
[pka]

4.85±0.70(Predicted)
[color ]

viscous
[Appearance]

Off-white to light yellow <37°C Solid,>41°C Liquid
[Optical Rotation]

[α]20/D 160°, c = 1 in ethanol
[BRN ]

4266906
[InChI]

InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1
[InChIKey]

JTNVCJCSECAMLD-QZTJIDSGSA-N
[SMILES]

C(C1=N[C@@H](C2=CC=CC=C2)CO1)(C1=N[C@@H](C2=CC=CC=C2)CO1)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Risk Statements ]

36/37/38
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[F ]

10
[HS Code ]

29349990
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Clear light yellow viscous liquid
[Uses]

C2 symmetric ligand for enantioselective catalysis. Easily forms bidentate coordination complexes due to the strong affinity of the oxazoline nitrogen for various metals.
Spectrum DetailBack Directory
[Spectrum Detail]

(S,S)-2,2-BIS(4-PHENYL-2-OXAZOLIN-2-YL)PROPANE(131457-46-0)1HNMR
(S,S)-2,2-BIS(4-PHENYL-2-OXAZOLIN-2-YL)PROPANE(131457-46-0)FT-IR
(S,S)-2,2-BIS(4-PHENYL-2-OXAZOLIN-2-YL)PROPANE(131457-46-0)IR
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