Description

4-(1,3-Dimethyl-2,4,6-Trioxohexahydropyrimidin-5-Ylidenemethyl)Benzeneboronic Acid Pinacol Ester is a high-value, organoboron building block designed for advanced synthetic chemistry. This compound matters because it provides a protected boronic acid functionality, crucial for cross-coupling reactions like the Suzuki-Miyaura reaction, while offering enhanced stability for handling and storage. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for drug discovery programs targeting novel therapeutics.
• Agrochemical Synthesis: Used in the research and development of new crop protection agents and herbicides.
• Material Science Research: Serves as a precursor for creating novel organic electronic materials or metal-organic frameworks (MOFs).
• Suzuki-Miyaura Cross-Coupling Reactions: The pinacol ester group acts as a protected form of the boronic acid, enabling efficient carbon-carbon bond formation under mild conditions.
• Chemical Biology Probes: Utilized in the development of molecular probes and sensors for biological research.
• Ligand Synthesis: A building block for creating sophisticated ligands used in catalysis.

Basic Information

Product Name	4-(1,3-Dimethyl-2,4,6-Trioxohexahydropyrimidin-5-Ylidenemethyl)Benzeneboronic Acid Pinacol Ester
CAS No.	1218790-48-7
Molecular Formula	C20H25BN2O5
Molecular Weight	384.24 g/mol
Synonyms	4-[(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]benzeneboronic acid pinacol ester; 5-[(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; 1,3-Dimethyl-5-[(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylidene]barbituric Acid; Barbiturate-based Boronic Ester; CAS 1218790-48-7
EINECS	Contact for details

Quality Control

Our 4-(1,3-Dimethyl-2,4,6-Trioxohexahydropyrimidin-5-Ylidenemethyl)Benzeneboronic Acid Pinacol Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and batch-to-batch 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, and well-ventilated area at room temperature (15-25°C). Keep away from incompatible materials such as strong oxidizing agents. The container should be kept tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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