tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate

• ChemBase ID: 290761
• Molecular Formular: C15H28BNO4
• Molecular Mass: 297.19812
• Monoisotopic Mass: 297.21113878
• SMILES: O=C(N1CC(B2OC(C)(C)C(C)(C)O2)CC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC(C1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C15H28BNO4/c1-13(2,3)19-12(18)17-9-8-11(10-17)16-20-14(4,5)15(6,7)21-16/h11H,8-10H2,1-7H3
• InChIKey: YADHEMOTVPFRIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
• Synonyms: tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate

Database IDs

• CAS Number: 1312712-22-3
• PubChem SID: 180676292
• PubChem CID: 45787288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1252
• LogD (pH = 7.4): 3.1252
• Log P: 3.1252
• Molar Refractivity: 75.9874 cm^3
• Polarizability: 32.1807 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%