ChemicalBook--->CAS DataBase List--->91796-57-5

91796-57-5

91796-57-5 Structure

91796-57-5 Structure
IdentificationMore
[Name]

(1S,2R,5S)-(+)-MENTHYL (R)-P-TOLUENESULFINATE
[CAS]

91796-57-5
[Synonyms]

(1S,2R,5S)-(+)-MENTHYL (R)-P-TOLUENESULFINATE
(1S,2R,5S)-MENTHYL (R)-P-TOLUENESULFINATE
(+)-(1S)-MENTHYL (R)-TOLUENE-4-SULFINATE
(R)-(+)-MENTHYL P-TOLUENESULFINATE
(R)-(+)-P-TOLUENESULFINIC ACID D-MENTHYL ESTER
(+)-(1S)-Menthyl (R)-p-toluenesulfinate
p-Toluenesulfinic acid (1R)-5β-methyl-2β-isopropylcyclohexan-1β-yl ester
[Molecular Formula]

C17H26O2S
[MDL Number]

MFCD00064472
[Molecular Weight]

294.45
[MOL File]

91796-57-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

104-106 °C(lit.)
[Boiling point ]

402.3±38.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[refractive index ]

200 ° (C=2, Acetone)
[storage temp. ]

−20°C
[form ]

powder to crystal
[color ]

White to Almost white
[Optical Rotation]

[α]20/D +200°, c = 2 in acetone
[BRN ]

4907352
[InChI]

1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-,20?/m1/s1
[InChIKey]

NQICGNSARVCSGJ-IUINDACWSA-N
[SMILES]

C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)OS(=O)c2ccc(C)cc2
[CAS DataBase Reference]

91796-57-5(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2930.90.2900
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

(1S,2R,5S)-(+)-Menthyl (R)-p-Toluenesulfinate is used as a reactant in the stereoselective synthesis of pyrazole derivatives using tert-butansulfonamide as a chiral auxiliary.
[Uses]

(1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate can be used:
  • As a chiral electrophile in the synthesis of fluorescent triazolopyridine ligands.
  • To prepare various sulfinimines, which are further used in the synthesis of α-aminophosphonic acids by reacting with borane complexes.
  • In one of the key synthetic steps for the synthesis of (S)-(+)-ethyl β-amino-3-pyridinepropanoate, a component of an antiplatelet agent.

Spectrum DetailBack Directory
[Spectrum Detail]

(1S,2R,5S)-(+)-MENTHYL (R)-P-TOLUENESULFINATE(91796-57-5)1HNMR
(1S,2R,5S)-(+)-MENTHYL (R)-P-TOLUENESULFINATE(91796-57-5)Raman
(1S,2R,5S)-(+)-MENTHYL (R)-P-TOLUENESULFINATE(91796-57-5)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

91796-57-5(sigmaaldrich)
[TCI AMERICA]

(1S,2R,5S)-(+)-Menthyl (R)-p-Toluenesulfinate,>96.0%(GC)(91796-57-5)
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