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131180-63-7

131180-63-7 Structure

131180-63-7 Structure
IdentificationBack Directory
[Name]

(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
[CAS]

131180-63-7
[Synonyms]

(S)-Bis(3,5-dimethylphenyl)(pyrrolidin-2-yl)methanol
(S)-α,α-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol
2-Pyrrolidinemethanol, α,α-bis(3,5-dimethylphenyl)-, (2S)-
(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine
(S)-α,α-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol,99%e.e.
(S)-alpha,alpha-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol
(S)-α,α-Bis(3,5-diMethylphenyl)-2-pyrrolidineMethanol >=99% (HPLC)
(S)-alpha,alpha-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol >=99% (HPLC)
[Molecular Formula]

C21H27NO
[MDL Number]

MFCD10566962
[MOL File]

131180-63-7.mol
[Molecular Weight]

309.45
Chemical PropertiesBack Directory
[Melting point ]

98-101 °C
[Boiling point ]

488.2±35.0 °C(Predicted)
[density ]

1.068±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

13.70±0.29(Predicted)
[Appearance]

White to yellow Solid
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/s3
[InChIKey]

MXIOBZPVLNQGIU-FQEVSTJZSA-N
[SMILES]

C1N[C@H](C(O)(C2C=C(C)C=C(C)C=2)C2C=C(C)C=C(C)C=2)CC1 |&1:2,r|
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

22-50/53
[Safety Statements ]

60-61
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

(S)-α,α-Bis(3,5-dimethylphenyl)-2-pyrrolidinemethanol can be used as:
  • A chiral organocatalyst in the preparation of α-[(phenyl)methyl]thio]alkanal derivatives using aldehydes as starting materials and [(phenyl)methyl]thio]triazole as a sulfur electrophile.
  • A catalyst in the preparation of chiral bipyrazolidin-3-one derivatives by cycloadditions of azomethine imines with α,β-unsaturated aldehydes.

Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(-)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine(131180-63-7)1HNMR
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