(S)-Bis(3,5-dimethylphenyl)(pyrrolidin-2-yl)methanol , 97% , 131180-63-7

Synonym(s):
(S)-(−)-2-[Bis(3,5-dimethylphenyl)hydroxymethyl]pyrrolidine

CAS NO.：131180-63-7

Empirical Formula: C21H27NO

Molecular Weight: 309.45

MDL number: MFCD10566962

PRODUCT Properties

• 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 activity: 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|

Description and 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.

Safety

• Symbol(GHS): GHS07,GHS09
• Signal word: Warning
• Hazard statements: H302-H400
• Precautionary statements: P273-P301+P312+P330
• Hazard Codes: Xn,N
• Risk Statements: 22-50/53
• Safety Statements: 60-61
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3