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4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Cyclohex-3-Ene-1-Carbonitrile CAS NO 1310384-20-3


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CAS No.:1310384-20-3

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Cyclohex-3-Ene-1-Carbonitrile is a high-value, synthetically versatile boronic ester derivative, serving as a critical building block in modern organic synthesis. Its core value lies in enabling efficient cross-coupling reactions, which are fundamental for constructing complex molecular architectures in pharmaceutical and advanced materials research. This compound is essential for R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to introduce functionalized cyclohexene motifs into target molecules.

Application

  • Pharmaceutical Intermediate: A key precursor in Suzuki-Miyaura cross-coupling reactions for synthesizing novel drug candidates, particularly those containing functionalized cyclohexyl or cyclohexenyl cores.
  • Agrochemical Synthesis: Used in the development of advanced active ingredients for crop protection agents, where the boronate group facilitates the creation of complex, bioactive structures.
  • Material Science Research: Employed in the synthesis of organic electronic materials, such as polymers and small molecules for OLEDs or organic photovoltaics, due to its ability to form carbon-carbon bonds under mild conditions.
  • Chemical Biology Probes: Acts as a versatile handle for bioconjugation and the synthesis of labeled compounds or molecular probes used in diagnostic and biochemical research.
  • Ligand and Catalyst Development: Serves as a starting material for creating novel chiral ligands or organometallic catalysts used in asymmetric synthesis.
  • Custom Synthesis and Contract Manufacturing: A vital reagent for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing bespoke organic compounds for client projects.

Basic Information

Product Name 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Cyclohex-3-Ene-1-Carbonitrile
CAS No. 1310384-20-3
Molecular Formula C13H20BNO2
Molecular Weight 233.12 g/mol
Synonyms 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexene-1-carbonitrile; 3-Cyclohexene-1-carbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carbonitrile; 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexene-1-carbonitrile; Pinacol 4-cyano-1-cyclohexen-1-ylboronate; 4-Cyano-1-cyclohexenylboronic acid pinacol ester
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Quality Control

Our 4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Cyclohex-3-Ene-1-Carbonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including NMR (¹H, ¹³C, ¹¹B), HPLC, and GC analysis, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and decomposition.

Specification

Item Specification
Appearance White to off-white crystalline powder or solid
Identification (NMR) Conforms to structure
Purity (HPLC) ≥ 97.0%
Water Content (KF) ≤ 0.5%

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

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