Description

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate (CAS: 1048970-17-7) is a high-purity boronic ester derivative extensively utilized in organic synthesis and pharmaceutical research. This compound, with the molecular formula C₁₆H₃₀BNO₄, features a piperidine core protected by a tert-butoxycarbonyl (Boc) group and a reactive pinacol boronate ester moiety, making it an invaluable intermediate for Suzuki-Miyaura cross-coupling reactions. Its stability under inert conditions ensures reliable performance in complex synthetic pathways. Ideal for researchers developing novel bioactive molecules or materials, this reagent is rigorously tested for consistency and purity, meeting the stringent demands of modern laboratories. Available in various quantities, it is supplied with comprehensive analytical data (NMR, HPLC, MS) to guarantee quality and reproducibility.

Properties

• CAS Number: 1048970-17-7
• Complexity: 406
• IUPAC Name: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
• InChI: InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
• InChI Key: IBLQMWKHENBVJE-UHFFFAOYSA-N
• Exact Mass: 311.2267886
• Molecular Formula: C16H30BNO4
• Molecular Weight: 311.2
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2CCN(CC2)C(=O)OC(C)(C)C
• Topological: 48
• Monoisotopic Mass: 311.2267886
• Synonyms: 1048970-17-7, tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate, DTXSID50656455, DTXCID50607205, 686-917-2, N-Boc-piperidine-4-boronic acid pinacol ester, 1-Boc-piperidin-4-ylboronic acid pinacol ester, 1-BOC-PIPERIDINE-4-BORONIC ACID PINACOL ESTER, MFCD09997792, 1-BOC-piperidin-4-ylboronic acid, pinacol ester, tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate, tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-piperidine-1-carboxylate, tert-Butoxycarbonylpiperidine-4-boronic acid pinacol ester, C16H30BNO4, SCHEMBL2932938, BBL102549, STL556352, (1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)BORONIC ACID PINACOL ESTER, AKOS005257788, CS-W009011, PB32839, NCGC00662807-01, AC-33870, DS-16225, SY007621, DB-059221, EN300-181624, N-Boc-piperidine-4-boronic acid pinacol ester, 97%, Z1741970852, tert-butyl 4-(hydroxy(3-hydroxy-2,3-dimethylbutan-2-yloxy)boryl)piperidine-1-carboxylate, tert-butyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate

Application

This compound serves as a versatile building block in medicinal chemistry, particularly for the synthesis of boron-containing pharmaceuticals via palladium-catalyzed cross-coupling reactions. Its Boc-protected piperidine scaffold is instrumental in constructing kinase inhibitors and CNS-targeting agents. The pinacol boronate group enhances solubility and reactivity in aqueous conditions, facilitating bioconjugation and labeling applications. Researchers also employ it in the development of PET radiotracers due to its potential for ¹⁸F-incorporation.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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