4-(4-Methylpiperazin-1-yl)phenylboronic acid, pinacol ester

• CAS: 747413-21-4
• Catalog Number: ACM747413214
• Category: Boronic Esters
• Molecular Weight: 302.22
• Molecular Formula: C₁₇H₂₇BN₂O₂
• Synonyms: 747413-21-4, 4-(4-Methylpiperazin-1-yl)phenylboronic Acid Pinacol Ester, 4-(4-Methylpiperazin-1-yl)phenylboronic acid, pinacol ester, 1-methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine, 1-Methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine, 4-(4-Methylpiperazin-1-yl)benzeneboronic acid, pinacol ester, 2-[4-(4-Methylpiperazin-1-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, PubChem22675, SureCN19583, AGN-PC-01NOTH, AMTB147, CTK8B3404, MolPort-002-054-985, MAY00016, ANW-42472, RB2063, AKOS015903909, AB29168, AC-7064, QC-4735
• IUPAC Name: 1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C
• InChI Key: RDFJBDMCBVSCFI-UHFFFAOYSA-N
• Boiling Point: 419.2ºC at 760 mmHg
• Melting Point: 112-114ºC
• Flash Point: 207.3ºC
• Density: 1.07g/cm³
• Exact Mass: 302.21700
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: S26-S36-S37-S39

Synthetic Use

Upstream Synthesis Route 1

• 61676-62-8
• 130307-08-3

• 747413-21-4

Reference: [1]Patent: JP6378918,2018,B2 .Location in patent: Paragraph 0651; 0652

Downstream Synthesis Route 1

• 747413-21-4
• 1092500-67-8

• 1092500-73-6

Reference: [1]Patent: WO2008/148867,2008,A2 .Location in patent: Page/Page column 115-116

Downstream Synthesis Route 2

• 747413-21-4
• 1171043-60-9

• 1171040-38-2

Reference: [1]Patent: WO2009/87212,2009,A2 .Location in patent: Page/Page column 49; 93

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