N,N-Dimethyl-1-{4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methanamine
[CAS# 942919-72-4]

Identification

• Name: N,N-Dimethyl-1-{4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methanamine
• Synonyms: Benzenemethanamine,N,N-dimethyl-4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
• Molecular Formula: C₂₈H₃₂BN₃O₄S
• Molecular Weight: 517.45
• CAS Registry Number: 942919-72-4
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(N(C3=NC=C2)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)CN(C)C
• InChI: 1S/C28H32BN3O4S/c1-27(2)28(3,4)36-29(35-27)24-16-17-30-26-23(24)18-25(21-14-12-20(13-15-21)19-31(5)6)32(26)37(33,34)22-10-8-7-9-11-22/h7-18H,19H2,1-6H3
• InChIKey: KMPFYNPZTKSJHQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 672.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 360.8±34.3°C (Cal.)
• Refractive index: 1.6 (Cal.)