Description

1H-Indole-1-Carboxylic Acid, 2-Borono-5-(4-Methyl-1-Piperazinyl)-, 1-(1,1-Dimethylethyl) Ester is a sophisticated, multi-functional chemical building block that combines an indole core with a boronic acid pinacol ester and a piperazine moiety. This compound matters as a key synthetic intermediate, offering versatile reactivity for constructing complex molecules in advanced pharmaceutical research and development. It is primarily needed by medicinal chemists and process development scientists in the pharmaceutical and biotechnology industries for applications in drug discovery, particularly in the synthesis of targeted small molecule therapeutics.

Application

• Pharmaceutical Intermediate: A critical building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, oncology, and infectious diseases.
• Suzuki-Miyaura Cross-Coupling Reactions: The boronic ester functional group makes it an ideal substrate for palladium-catalyzed cross-coupling, enabling the formation of carbon-carbon bonds to construct complex biaryl structures common in modern pharmaceuticals.
• Medicinal Chemistry & SAR Studies: Used to explore structure-activity relationships (SAR) by introducing the indole-piperazine-boronate pharmacophore into lead compounds to optimize potency, selectivity, and pharmacokinetic properties.
• Chemical Biology Probes: Serves as a precursor for developing chemical probes to study biological pathways and protein function, leveraging its potential for bioconjugation and target engagement.
• Process Chemistry & Scale-Up: Employed in the development and optimization of scalable synthetic routes for active pharmaceutical ingredients (APIs) under Good Manufacturing Practice (GMP) guidelines.
• Library Synthesis for High-Throughput Screening: Used to generate focused libraries of compounds for screening against novel biological targets in early-stage drug discovery.

Basic Information

Product Name	1H-Indole-1-Carboxylic Acid, 2-Borono-5-(4-Methyl-1-Piperazinyl)-, 1-(1,1-Dimethylethyl) Ester
CAS No.	913388-75-7
Molecular Formula	C20H30BN3O4
Molecular Weight	387.28 g/mol
Synonyms	2-Borono-5-(4-methylpiperazin-1-yl)-1H-indole-1-carboxylic acid tert-butyl ester; 5-(4-Methylpiperazin-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylic acid tert-butyl ester; tert-Butyl 5-(4-methylpiperazin-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate; 1H-Indole-1-carboxylic acid, 2-borono-5-(4-methyl-1-piperazinyl)-, 1-(1,1-dimethylethyl) ester; Boronic acid, B-[5-(4-methyl-1-piperazinyl)-1H-indol-2-yl]-, 1,1-dimethylethyl ester; CAS 913388-75-7
EINECS	Contact for details

Quality Control

Our production of 1H-Indole-1-Carboxylic Acid, 2-Borono-5-(4-Methyl-1-Piperazinyl)-, 1-(1,1-Dimethylethyl) Ester adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for critical research and development applications. All materials undergo rigorous analytical testing, including HPLC for purity, NMR for structural confirmation, and LC-MS for identity verification. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to support your regulatory and quality documentation needs.

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 hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when possible to prevent degradation. For long-term storage, consider storing desiccated at 2-8°C.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 95.0%
Assay	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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