Description

Urea, n-(3,3-Dimethylbutyl)-N'-[2-Fluoro-4-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]- is a sophisticated, high-value chemical intermediate featuring a unique molecular architecture that combines a urea core with a pinacol boronate ester and a fluorinated aromatic system. This compound matters for its critical role as a key building block in modern pharmaceutical discovery and advanced materials science, enabling precise molecular construction. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and specialty chemical industries for applications such as Suzuki-Miyaura cross-coupling reactions and the synthesis of complex bioactive molecules.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, oncology, and metabolic diseases.
• Suzuki-Miyaura Cross-Coupling Reagent: Serves as a versatile boronic ester partner for palladium-catalyzed carbon-carbon bond formation, essential for constructing biaryl and heterobiaryl structures in drug discovery.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging its fluorine and urea motifs for enhanced biological activity and environmental stability.
• Material Science: Potential building block for organic electronic materials, such as organic light-emitting diodes (OLEDs) and semiconductors, due to its conjugated system and functional handles.
• Chemical Biology Probe Development: Employed in the creation of molecular probes and tags for studying biological pathways and protein functions.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds and small-scale GMP batches.

Basic Information

Item	Details
Product Name	Urea, n-(3,3-Dimethylbutyl)-N'-[2-Fluoro-4-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]-
CAS No.	1454682-74-6
Molecular Formula	C20H32BFN2O3
Molecular Weight	378.29 g/mol
Synonyms	1-(3,3-Dimethylbutyl)-3-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; N-(3,3-Dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; 2-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl urea derivative; Pinacol [3-({[(3,3-dimethylbutyl)amino]carbonyl}amino)-4-fluoro-6-methylphenyl]boronate; CAS 1454682-74-6
EINECS	Contact for details

Quality Control

Our Urea, n-(3,3-Dimethylbutyl)-N'-[2-Fluoro-4-Methyl-5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]- is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via NMR and Mass Spectrometry, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to guarantee traceability and consistency.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Assay	≥ 95.0% (by NMR)
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.