tert-butyl N-[(tert-butoxy)carbonyl]-N-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

• ChemBase ID: 806234
• Molecular Formular: C21H33BN2O6
• Molecular Mass: 420.30752
• Monoisotopic Mass: 420.24316719
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N(c1cccc(n1)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C21H33BN2O6/c1-18(2,3)27-16(25)24(17(26)28-19(4,5)6)15-13-11-12-14(23-15)22-29-20(7,8)21(9,10)30-22/h11-13H,1-10H3
• InChIKey: VKNZXYHMNGMQRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(tert-butoxy)carbonyl]-N-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
• IUPAC Traditional name: tert-butyl N-(tert-butoxycarbonyl)-N-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
• Synonyms: 6-(DI-BOC-AMINO)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.7509
• LogD (pH = 7.4): 5.7509
• Log P: 5.7509
• Molar Refractivity: 107.6897 cm^3
• Polarizability: 44.206158 Å^3
• Polar Surface Area: 87.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%