Description

1-[(3,3-Difluorocyclobutyl)Methyl]-4-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole is a high-value, multifunctional chemical building block featuring both a pyrazole heterocycle and a protected boronic ester functional group. This compound is specifically engineered for advanced pharmaceutical and agrochemical research, serving as a critical intermediate in modern synthetic routes, particularly in cross-coupling reactions like the Suzuki-Miyaura reaction. Its unique structure, incorporating a difluorocyclobutyl moiety, makes it essential for medicinal chemists and process development scientists seeking to introduce fluorinated motifs and complex heterocycles into target molecules. The CAS number for this compound is 2101934-11-4.

Application

This versatile boronate ester is primarily utilized as a sophisticated synthetic intermediate. Its applications are centered on the development of novel active compounds.

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates targeting central nervous system (CNS) disorders, oncology, and metabolic diseases.
• Agrochemical Research: Used in the discovery and development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the pyrazole core and the stability of the fluorinated cyclobutane ring.
• Suzuki-Miyaura Cross-Coupling: The tetramethyl dioxaborolane (pinacol boronate ester) group is designed for efficient palladium-catalyzed cross-coupling with aryl/heteroaryl halides, enabling rapid diversification of molecular scaffolds.
• Fluorine Chemistry: The 3,3-difluorocyclobutyl group serves as a valuable, metabolically stable bioisostere, used to fine-tune the lipophilicity, bioavailability, and binding affinity of lead compounds.
• Material Science Precursor: Potential use in the synthesis of organic electronic materials and metal-organic frameworks (MOFs) where precise control over molecular architecture is required.
• Chemical Biology Probes: Useful for creating tagged molecules or probes for studying biological pathways and target engagement.

Basic Information

Product Name	1-[(3,3-Difluorocyclobutyl)Methyl]-4-(Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole
CAS No.	2101934-11-4
Molecular Formula	C₁₄H₂₁B₁F₂N₂O₂
Molecular Weight	298.14 g/mol
Synonyms	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[(3,3-difluorocyclobutyl)methyl]-1H-pyrazole; 1-((3,3-Difluorocyclobutyl)methyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1H-Pyrazole, 1-[(3,3-difluorocyclobutyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; (1-((3,3-Difluorocyclobutyl)methyl)-1H-pyrazol-4-yl)boronic acid pinacol ester; 2101934-11-4.
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems. Every batch undergoes comprehensive analytical characterization using techniques such as NMR (¹H, ¹³C, ¹⁹F), HPLC, and GC-MS to confirm identity and purity. We provide a detailed Certificate of Analysis (COA) with each shipment, which includes batch-specific data on purity, water content (KF), and residual solvents. For customers with specific regulatory needs, we can support development under GMP-like controls for non-GMP applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C or as specified on the label or COA. This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when prolonged exposure is anticipated to maintain stability and purity.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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