Description

3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester is a sophisticated bifunctional chemical intermediate that combines a rigid diazabicycloheptane core with a pyridine boronic ester pinacol ester. This compound matters for its dual functionality, serving as a key building block in modern synthetic chemistry, particularly for the construction of complex molecular architectures via cross-coupling reactions. Pharmaceutical and agrochemical R&D teams need this high-purity intermediate to accelerate the discovery of new active ingredients, leveraging its unique structural features and reactive handles.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of novel active pharmaceutical ingredients (APIs), especially for candidates targeting the central nervous system (CNS) and other therapeutic areas.
• Suzuki-Miyaura Cross-Coupling Reactions: The boronic ester functional group makes it an ideal partner for palladium-catalyzed cross-coupling, enabling efficient carbon-carbon bond formation to create complex heterocyclic systems.
• Medicinal Chemistry & Drug Discovery: Used in library synthesis and lead optimization campaigns to explore structure-activity relationships (SAR) around the diazabicycloheptane scaffold.
• Agrochemical Research: Employed in the development of new herbicides, fungicides, and insecticides that require specific, three-dimensional structural motifs for target binding.
• Ligand and Catalyst Development: The nitrogen-rich bicyclic structure can be utilized to develop novel chiral ligands or organocatalysts for asymmetric synthesis.
• Chemical Biology Probes: Serves as a building block for creating molecular probes to study biological pathways and enzyme functions.

Basic Information

Item	Details
Product Name	3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester
CAS No.	2305070-08-8
Molecular Formula	C22H32BN3O4
Molecular Weight	413.32 g/mol
Synonyms	tert-Butyl 3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate; 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 6-(tert-Butoxycarbonyl)-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptane; BOC-3,6-Diazabicyclo[3.1.1]heptane Pyridine Boronic Ester Pinacol Ester; CAS 2305070-08-8
EINECS	Contact for details

Quality Control

Our 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, 1,1-dimethylethyl ester is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment supports applications in GMP-grade pharmaceutical development and other high-value industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 5.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.