Description

1H-Indole-1-Carboxylic Acid, 5-[Bis[(1,1-Dimethylethoxy)Carbonyl]Amino]-2-Borono-, 1-(1,1-Dimethylethyl) Ester (9Ci) is a sophisticated, multi-functional boron-containing indole derivative, serving as a critical advanced pharmaceutical intermediate and protease inhibitor building block. Its complex structure, featuring protected amino and boronic acid ester functionalities, makes it indispensable for the synthesis of targeted therapeutic agents, particularly in oncology and antiviral research. This high-value compound is essential for medicinal chemistry teams and contract research and manufacturing organizations (CROs/CMOs) engaged in the development of novel small-molecule drugs.

Application

• Key Intermediate in Protease Inhibitor Synthesis: Serves as a crucial building block for the development of serine protease inhibitors, including potential thrombin and factor Xa inhibitors for anticoagulant therapies.
• Boronic Acid-Based Drug Candidate Development: Utilized in medicinal chemistry for creating drug candidates where the boronic acid moiety is essential for binding affinity and selectivity, common in oncology targets.
• Advanced Pharmaceutical Research (API Development): Employed in the research and early-stage development of new Active Pharmaceutical Ingredients (APIs), particularly for complex, targeted therapies.
• Suzuki-Miyaura Cross-Coupling Reactions: Acts as a specialized boronic ester reagent in palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds, a fundamental step in constructing complex organic molecules.
• Bioconjugation and Probe Synthesis: Used in the synthesis of chemical probes and bioconjugates for biochemical assays and diagnostic research due to its reactive handles.
• Peptidomimetic and Macrocycle Synthesis: Incorporated into the design and synthesis of peptidomimetics and macrocyclic compounds to improve metabolic stability and bioavailability of drug leads.

Basic Information

Item	Details
Product Name	1H-Indole-1-Carboxylic Acid, 5-[Bis[(1,1-Dimethylethoxy)Carbonyl]Amino]-2-Borono-, 1-(1,1-Dimethylethyl) Ester (9Ci)
CAS No.	863770-85-8
Molecular Formula	C24H35BN2O7
Molecular Weight	474.36 g/mol
Synonyms	5-[(Bis(tert-butoxycarbonyl)amino]-2-borono-1H-indole-1-carboxylic acid tert-butyl ester; tert-Butyl 5-[(bis(tert-butoxycarbonyl)amino]-2-borono-1H-indole-1-carboxylate; BOC-Protected Boronoindole Derivative; Protease Inhibitor Intermediate BOC-Boronoindole; (1-(tert-Butoxycarbonyl)-5-[(bis(tert-butoxycarbonyl)amino]-1H-indol-2-yl)boronic acid; CAS 863770-85-8
EINECS	Contact for details

Quality Control

This high-purity advanced intermediate is produced under strict quality management systems. Each batch is subjected to comprehensive analytical characterization including HPLC for purity, NMR (1H, 13C, and 11B) for structural confirmation, and mass spectrometry for identity verification. We ensure compliance with the stringent requirements of GMP-grade starting material standards for pharmaceutical research. A detailed Certificate of Analysis (COA) is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a freezer at -20°C to -10°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and easily oxidized nature. Allow the sealed container to equilibrate to room temperature before opening to prevent condensation and moisture ingress.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
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.