6-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol ester

• CAS: 496786-98-2
• Catalog Number: ACM496786982
• Category: Boronic Esters
• Molecular Weight: 389.3g/mol
• Molecular Formula: C20H32BN3O4
• IUPAC Name: tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C
• InChI: InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-12-10-23(11-13-24)16-9-8-15(14-22-16)21-27-19(4,5)20(6,7)28-21/h8-9,14H,10-13H2,1-7H3
• InChI Key: JWUBVPJWWYYRLJ-UHFFFAOYSA-N
• Complexity: 554
• Covalently-Bonded Unit Count: 1
• Exact Mass: 389.248587g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 28
• Monoisotopic Mass: 389.248587g/mol
• Rotatable Bond Count: 4

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3
• 153747-97-8

• 496786-98-2

Reference: [1] Patent: US2014/364414, 2014, A1, . Location in patent: Paragraph 0945; 0950-0951

Upstream Synthesis Route 2

• 73183-34-3
• 153747-97-8

• 919347-67-4
• 496786-98-2

Reference: [1] Patent: WO2015/88045, 2015, A1, . Location in patent: Paragraph 0239

Upstream Synthesis Route 3

• 73406-97-0

• 496786-98-2

Reference: [1] Patent: US2014/364414, 2014, A1,

Downstream Synthesis Route 1

• 929040-09-5
• 496786-98-2

• 929040-11-9

Reference: [1]Patent: WO2007/30359,2007,A1 .Location in patent: Page/Page column 44

* For details of the synthesis route, please refer to the original source to ensure accuracy.