(S)-Bis(3,5-bis(trifluoromethyl)phenyl)(pyrrolidin-2-yl)methanol , 95% , 848821-76-1

Synonym(s):
(S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}pyrrolidine

CAS NO.：848821-76-1

Empirical Formula: C21H15F12NO

Molecular Weight: 525.33

MDL number: MFCD10566964

PRODUCT Properties

• Melting point: 113-117 °C
• Boiling point: 391.8±42.0 °C(Predicted)
• Density: 1.465±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C
• form: powder to crystal
• pka: 12.26±0.29(Predicted)
• color: White to Light yellow
• optical activity: -52.535°(C=0.01g/ml CHCL3)
• InChI: InChI=1/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/s3
• InChIKey: ITXPGQOGEYWAKW-INIZCTEOSA-N
• SMILES: C(F)(F)(C1=CC(C(O)(C2C=C(C=C(C=2)C(F)(F)F)C(F)(F)F)[C@@H]2CCCN2)=CC(=C1)C(F)(F)F)F |&1:22,r|

Description and Uses

(S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}pyrrolidine is a chiral ligand, used in catalytic asymmetric synthesis. Its application extends to the production of propargylic sulfamidates and cyclic imines.

Safety

• WGK Germany: 3
• HS Code: 2933.99.8290