Description

tert-Butyl 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate CAS NO 2095495-26-2 is a high-purity, advanced pharmaceutical intermediate featuring a unique azabicycloheptane scaffold functionalized with a pinacol boronate ester. This compound is a critical building block in modern medicinal chemistry, enabling efficient Suzuki-Miyaura cross-coupling reactions to create complex molecular architectures. It is primarily utilized by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients targeting a range of therapeutic areas.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those requiring complex, three-dimensional bicyclic amine structures.
• Suzuki-Miyaura Cross-Coupling: Serves as a versatile boron-containing coupling partner for the formation of carbon-carbon bonds with aryl or vinyl halides, a cornerstone reaction in drug discovery.
• Medicinal Chemistry Research: Used in library synthesis and structure-activity relationship (SAR) studies to explore new chemical space and optimize biological activity.
• Agrochemical Development: Employed in the research and synthesis of new active ingredients for crop protection products.
• Ligand and Catalyst Synthesis: Potential use in the development of novel chiral ligands or organocatalysts due to its constrained bicyclic amine structure.
• Chemical Biology Probes: Can be incorporated into molecular probes for studying biological systems and target engagement.

Basic Information

Product Name	tert-Butyl 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CAS No.	2095495-26-2
Molecular Formula	C₁₇H₃₀BNO₄
Molecular Weight	323.24 g/mol
Synonyms	3-((tert-Butoxycarbonyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane; 1-Boc-3-aza-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[4.1.0]heptane; tert-Butyl 1-(pinacolatoboryl)-3-azabicyclo[4.1.0]heptane-3-carboxylate; 3-Azabicyclo[4.1.0]heptane-3-carboxylic acid, 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester; Bicyclo[4.1.0]heptane-1-boronic acid, 3-[(1,1-dimethylethoxy)carbonyl]-3-aza-, pinacol ester; 2095495-26-2
EINECS	Contact for details

Quality Control

Our tert-Butyl 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and light-sensitive nature. Allow the container to reach room temperature before opening to minimize moisture ingress.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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