Description

1H-Indole-1-Carboxylic Acid, 2-Borono-5-(Dimethylamino)-, 1-(1,1-Dimethylethyl) Ester is a sophisticated boronic acid ester derivative of indole, serving as a critical building block in advanced organic synthesis. This compound is valued for its unique molecular architecture, which combines a protected boronic acid group with a dimethylamino-substituted indole scaffold, enabling precise cross-coupling reactions. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the construction of complex heterocyclic molecules and active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: Key precursor in Suzuki-Miyaura cross-coupling reactions for synthesizing novel drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Research: Used to create new active ingredients for crop protection agents by introducing the indole-boronate moiety into lead structures.
• Material Science: Building block for organic electronic materials and functional polymers where the indole core contributes to charge transport properties.
• Chemical Biology: Probe molecule for studying enzyme inhibition and protein-ligand interactions due to its specific boronate functionality.
• Catalyst Ligand Development: Potential precursor for synthesizing novel ligands used in asymmetric catalysis and transition metal complexes.
• Academic & Contract Research: Essential reagent for methodological development in synthetic organic chemistry laboratories worldwide.

Basic Information

Product Name	1H-Indole-1-Carboxylic Acid, 2-Borono-5-(Dimethylamino)-, 1-(1,1-Dimethylethyl) Ester
CAS No.	945493-49-2
Molecular Formula	C16H23BN2O4
Molecular Weight	318.18 g/mol
Synonyms	2-Borono-5-(dimethylamino)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester; tert-Butyl 2-borono-5-(dimethylamino)-1H-indole-1-carboxylate; 5-(Dimethylamino)-1H-indole-2-boronic acid tert-butyl ester; 945493-49-2; Boronic acid, B-[5-(dimethylamino)-1-[[(1,1-dimethylethoxy)carbonyl]-1H-indol-2-yl]-; tert-Butyl 5-(dimethylamino)-2-boronobenzindole-1-carboxylate
EINECS	Contact for details

Quality Control

Our production of 1H-Indole-1-Carboxylic Acid, 2-Borono-5-(Dimethylamino)-, 1-(1,1-Dimethylethyl) Ester adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. Each lot is fully characterized using advanced analytical techniques including NMR, HPLC, and mass spectrometry. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment. We support compliance with cGMP and ISO 9001 standards for pharmaceutical intermediate manufacturing.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (argon or nitrogen) when opening to prevent degradation. Keep away from strong oxidizers.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
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.