Description

1H-Indole-1-Carboxylic Acid, 2-Borono-4-Fluoro-, 1-(1,1-Dimethylethyl) Ester is a high-purity, advanced pharmaceutical intermediate featuring a unique indole scaffold functionalized with a boronic acid pinacol ester and a fluorine substituent. This compound is specifically engineered for use in modern synthetic chemistry, particularly in cross-coupling reactions like the Suzuki-Miyaura reaction, enabling the efficient construction of complex molecules. It is a critical building block for researchers and manufacturers in the pharmaceutical and agrochemical industries developing novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, oncology, and inflammation.
• Suzuki-Miyaura Cross-Coupling Reagent: The boronic ester moiety makes it an essential reactant for forming carbon-carbon bonds in medicinal chemistry and materials science research.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides with enhanced efficacy and selectivity.
• Chemical Biology & Proteomics: Serves as a valuable probe or linker in the study of biological pathways and protein interactions.
• Material Science: Potential building block for creating organic electronic materials and advanced polymers with specific optical or electronic properties.
• Contract Research & Development (CRO/CMO): Supplied to research organizations for custom synthesis and process development projects.

Basic Information

Product Name	1H-Indole-1-Carboxylic Acid, 2-Borono-4-Fluoro-, 1-(1,1-Dimethylethyl) Ester
CAS No.	1000068-25-6
Molecular Formula	C₁₅H₁₉BFNO₄
Molecular Weight	307.13 g/mol
Synonyms	2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-fluoro-1H-indole-1-carboxylic acid tert-butyl ester; 4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylic acid tert-butyl ester; tert-Butyl 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate; 1-(tert-Butoxycarbonyl)-4-fluoro-2-boronoindole pinacol ester; BOC-4-fluoro-2-boronoindole pinacol ester
EINECS	Contact for details

Quality Control

Our production of 1H-Indole-1-Carboxylic Acid, 2-Borono-4-Fluoro-, 1-(1,1-Dimethylethyl) Ester adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is analyzed using advanced techniques including HPLC, NMR (¹H and ¹³C), and mass spectrometry to confirm identity and purity. Comprehensive Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic nature, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and decomposition. Recommended long-term storage temperature is between 2°C and 8°C.

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%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 3.0%

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