4-Methanesulfonylaminophenylboronic acid, pinacol ester

• CAS: 616880-14-9
• Catalog Number: ACM616880149-1
• Category: Boronic Esters
• Molecular Weight: 297.2g/mol
• Molecular Formula: C13H20BNO4S
• IUPAC Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C
• InChI: InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-6-8-11(9-7-10)15-20(5,16)17/h6-9,15H,1-5H3
• InChI Key: NPSPNWPZDXQYAC-UHFFFAOYSA-N
• Complexity: 434
• Covalently-Bonded Unit Count: 1
• Exact Mass: 297.12061g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 20
• Monoisotopic Mass: 297.12061g/mol
• Rotatable Bond Count: 3

Synthetic Use

Upstream Synthesis Route 1

• 124-63-0
• 214360-73-3

• 616880-14-9

Reference: [1]Patent: WO2004/76412,2004,A2 .Location in patent: Page 104