(2R)-2-{[(tert-butyldimethylsilyl)oxy]diphenylmethyl}pyrrolidine

• ChemBase ID: 143593
• Molecular Formular: C23H33NOSi
• Molecular Mass: 367.59972
• Monoisotopic Mass: 367.23314121
• SMILES: CC(C)(C)[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1
• Canonical SMILES: C[Si](C(C)(C)C)(OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1)C
• InChI: InChI=1S/C23H33NOSi/c1-22(2,3)26(4,5)25-23(21-17-12-18-24-21,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,21,24H,12,17-18H2,1-5H3/t21-/m1/s1
• InChIKey: YJFSFDYMOMREQP-OAQYLSRUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{[(tert-butyldimethylsilyl)oxy]diphenylmethyl}pyrrolidine
• IUPAC Traditional name: (2R)-2-{[(tert-butyldimethylsilyl)oxy]diphenylmethyl}pyrrolidine
• Synonyms: (R)-2-[(tert-Butyldimethylsiloxy)diphenylmethyl]pyrrolidine; (R)-Diphenylprolinol tert-butyldimethylsilyl ether; (R)-(+)-α,α-Diphenyl-2-pyrrolidinemethanol tert-butyldimethylsilyl ether

Database IDs

• CAS Number: 1236033-34-3
• MDL Number: MFCD18427919
• PubChem SID: 162237811
• PubChem CID: 71310995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1269572
• LogD (pH = 7.4): 3.0545866
• Log P: 5.6905
• Molar Refractivity: 107.031 cm^3
• Polarizability: 44.653 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: ≥97% (HPLC)
• Optical Purity: enantiomeric excess: ≥98.0%
• Empirical Formula (Hill Notation): C23H33NOSi