Description

1-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine (CAS No. 918524-63-7) is a high-purity boronic ester derivative featuring a piperazine-substituted pyridine core. With the molecular formula C₁₆H₂₆BN₃O₂, this compound is widely utilized in Suzuki-Miyaura cross-coupling reactions due to its stable dioxaborolane protecting group, which enhances handling and shelf-life. Its structural design makes it an essential intermediate in pharmaceutical research, agrochemical development, and materials science. Supplied as a crystalline solid with >95% purity (HPLC), it is rigorously tested for consistency, ensuring optimal performance in synthetic applications. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 918524-63-7
• Complexity: 381
• IUPAC Name: 1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine
• InChI: InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-6-7-14(18-12-13)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3
• InChI Key: KVQXFNGVIIPCSX-UHFFFAOYSA-N
• Exact Mass: 303.2118072
• Molecular Formula: C16H26BN3O2
• Molecular Weight: 303.2
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C
• Topological: 37.8
• Monoisotopic Mass: 303.2118072
• Synonyms: 918524-63-7, 1-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine, 1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine, DTXSID50377794, DTXCID50328822, 674-539-0, 2-(4-methylpiperazin-1-yl)pyridine-5-boronic acid pinacol ester, 2-(4-methyl-piperazin-1-yl)pyridine-5-boronic acid pinacol ester, 2-(4-METHYLPIPERAZINO)PYRIDINE-5-BORONIC ACID PINACOL ESTER, MFCD07437995, 6-(4-Methyl-1-piperazinyl)pyridine-3-boronic Acid Pinacol Ester, 1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine, 1-methyl-4-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl]piperazine, 1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine, 1-methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)pyridin-2-yl)piperazine, KVQXFNGVIIPCSX-UHFFFAOYSA-N, 1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine, YSZC369, SCHEMBL578540, EX-A3896, HIB11409, (6-(4-METHYLPIPERAZIN-1-YL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, AKOS015960103, AB41978, AS-2719, CS-W007050, 1-methyl-4-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-piperazine, AC-30411, SY025292, DB-079186, M3116, F30007, EN300-6498049, 2-(4-methylpiperazine-1-yl)pyridine-5-boronic acid pinacol ester

Application

This compound serves as a key reagent in palladium-catalyzed cross-coupling reactions, enabling the synthesis of biaryl structures in drug discovery. It is particularly valuable in constructing heterocyclic scaffolds for kinase inhibitors and CNS-targeted pharmaceuticals. Researchers also employ it in labeling and bioconjugation workflows due to its boronate reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (16.7%)
• Acute Tox. 4 (16.7%)
• Skin Corr. 1B (16.7%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2 (66.7%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (50%)

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