Description

4-{[4-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl]Methyl}-1λ-Thiane-1,1-Dione is a sophisticated boron-containing heterocyclic compound that serves as a critical building block in modern synthetic chemistry. Its value lies in the unique combination of a protected boronic ester group and a functionalized thiane-1,1-dione scaffold, enabling precise molecular construction. This high-purity intermediate is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, particularly for developing new active ingredients through cross-coupling reactions and targeted molecular design.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, especially for targeted therapies and enzyme inhibitors.
• Suzuki-Miyaura Cross-Coupling Reactions: Serves as a versatile boronic ester coupling partner for constructing complex biaryl and heterobiaryl structures central to many active pharmaceutical ingredients (APIs).
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides requiring specific boron-containing motifs for bioactivity.
• Material Science & OLED Development: Employed in the synthesis of organic electronic materials, where the boron center can influence charge transport and luminescent properties.
• Chemical Biology & Probe Development: Utilized for creating molecular probes and tags to study biological processes and protein interactions.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for bespoke synthesis projects requiring high-fidelity boron chemistry.

Basic Information

Product Name	4-{[4-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl]Methyl}-1λ-Thiane-1,1-Dione
CAS No.	2246897-95-8
Molecular Formula	C14H21BN2O4S
Molecular Weight	324.20 g/mol
Synonyms	4-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl)thiane-1,1-dione; 1,1-Dioxo-1λ⁶-thiane-4-ylmethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 4-[(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)methyl]thiane-1,1-dione; CAS 2246897-95-8; Boronic ester pyrazole thiane dione derivative; Boron-containing heterocyclic building block
EINECS	Contact for details

Quality Control

Every batch of 4-{[4-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazol-1-Yl]Methyl}-1λ-Thiane-1,1-Dione is manufactured under strict quality management systems. We employ advanced analytical techniques including NMR (¹H, ¹³C, ¹¹B), HPLC, and mass spectrometry to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specification results is provided with each shipment to support your regulatory and R&D documentation 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 (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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