4-(4-Boc-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester

• CAS: 864754-13-2
• Catalog Number: ACM864754132
• Category: Other Products; Other
• Molecular Weight: 416.3g/mol
• Molecular Formula: C22H33BN2O5
• IUPAC Name: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C
• InChI: InChI=1S/C22H33BN2O5/c1-20(2,3)28-19(27)25-14-12-24(13-15-25)18(26)16-8-10-17(11-9-16)23-29-21(4,5)22(6,7)30-23/h8-11H,12-15H2,1-7H3
• InChI Key: QPYOLSJFOCIOHK-UHFFFAOYSA-N
• Complexity: 628
• Covalently-Bonded Unit Count: 1
• Exact Mass: 416.248252g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 30
• Monoisotopic Mass: 416.248252g/mol
• Rotatable Bond Count: 4

Custom Reviews

June 16, 2023

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Cheap
Compared with many purchasing networks, 4-(4-boc-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester is the cheapest and the quality is good in this one.

Synthetic Use

Upstream Synthesis Route 1

• 76-09-5

• 864754-13-2

Reference: [1]De Simone, Rosa; Bruno, Ines; Riccio, Raffaele; Stadler, Katharina; Bauer, Julia; Schaible, Anja M.; Laufer, Stefan; Werz, Oliver
[Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 16, p. 5012 - 5016]

Downstream Synthesis Route 1

• 864754-13-2
• 1229584-11-5

• 1229583-49-6

Reference: [1]Current Patent Assignee: UNIVERSITY OF ROCHESTER - WO2010/68483, 2010, A2
Location in patent: Page/Page column 121
[2]Current Patent Assignee: UNIVERSITY OF ROCHESTER - WO2011/149950, 2011, A2
Location in patent: Page/Page column 118-119
[3]Current Patent Assignee: UNIVERSITY OF ROCHESTER - WO2014/85795, 2014, A1
Location in patent: Paragraph 0337

Downstream Synthesis Route 2

• 864754-13-2
• 1307233-74-4

• 1307233-76-6

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - US2011/118275, 2011, A1
Location in patent: Page/Page column 12-13

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