Description

Benzeneacetic Acid, 2-Nitro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, Ethyl Ester is a high-value, advanced pharmaceutical intermediate featuring a strategically positioned boronic ester functional group. This compound is critical for enabling key carbon-carbon bond-forming reactions, such as the Suzuki-Miyaura cross-coupling, which are foundational in modern medicinal chemistry. It is primarily utilized by research institutions and pharmaceutical companies engaged in the synthesis of complex, novel active pharmaceutical ingredients (APIs) and agrochemicals.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of complex drug candidates, particularly those requiring aryl-aryl bond formation via palladium-catalyzed cross-coupling reactions.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides where the introduction of specific aromatic systems is required.
• Material Science: Serves as a monomer or precursor for creating advanced polymers and organic electronic materials with tailored properties.
• Chemical Synthesis: Employed in academic and industrial R&D laboratories for constructing complex molecular architectures in natural product synthesis and methodology development.
• Ligand & Catalyst Development: The boronic ester moiety can be utilized to create novel ligands for catalysis or as a handle for further functionalization in probe molecule design.

Basic Information

Product Name	Benzeneacetic Acid, 2-Nitro-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-, Ethyl Ester
CAS No.	1198615-90-5
Molecular Formula	C₁₆H₂₂BNO₆
Molecular Weight	335.16 g/mol
Synonyms	Ethyl 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylacetate; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrophenylacetic Acid Ethyl Ester; 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetic Acid Ethyl Ester; 2-(2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic Acid Ethyl Ester; Boronic Acid, B-[2-Nitro-4-(ethoxycarbonylmethyl)phenyl]-, 4,4,5,5-Tetramethyl-1,3,2-dioxaborolane Ester
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols to ensure batch-to-batch consistency and high purity essential for sensitive coupling reactions. Every lot is characterized using advanced analytical techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your regulatory and R&D documentation.

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.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
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.