Description

5-Cyano-3-Iodoindole-1-Carboxylic Acid tert-Butyl Ester is a high-value, multi-functional indole derivative that serves as a critical synthetic intermediate in advanced organic chemistry. Its molecular architecture, featuring both cyano and iodo functional groups on the indole core, makes it an indispensable building block for constructing complex heterocyclic systems and pharmaceutical scaffolds. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for the synthesis of novel active compounds and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in oncology and CNS research, leveraging its halogen and nitrile groups for further functionalization.
• Agrochemical Synthesis: Used in the research and development of new-generation pesticides and herbicides, where the indole scaffold provides unique biological activity.
• Material Science Precursor: Serves as a monomer or precursor for the development of organic electronic materials, dyes, and photoactive compounds.
• Chemical Biology Probe Development: Employed in the creation of molecular probes and tags due to the reactivity of the iodine atom for cross-coupling reactions (e.g., Suzuki, Sonogashira).
• Academic & Contract Research: Essential reagent in university and CRO laboratories for methodological development in organic synthesis and heterocyclic chemistry.
• Peptidomimetics & Bio-conjugation: The carboxylic acid tert-butyl ester group allows for deprotection to the free acid, enabling its incorporation into peptides or use in bioconjugation strategies.

Basic Information

Product Name	5-Cyano-3-Iodoindole-1-Carboxylic Acid tert-Butyl Ester
CAS No.	864685-26-7
Molecular Formula	C₁₄H₁₃IN₂O₂
Molecular Weight	368.17 g/mol
Synonyms	1H-Indole-1-carboxylic acid, 5-cyano-3-iodo-, 1,1-dimethylethyl ester; tert-Butyl 5-cyano-3-iodo-1H-indole-1-carboxylate; 3-Iodo-5-cyanoindole-1-carboxylic acid tert-butyl ester; 5-Cyano-3-iodo-1H-indole-1-carboxylic acid tert-butyl ester; 864685-26-7; BOC-5-Cyano-3-Iodoindole; N-Boc-5-cyano-3-iodoindole
EINECS	Contact for details

Quality Control

Our 5-Cyano-3-Iodoindole-1-Carboxylic Acid tert-Butyl Ester is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity, essential for sensitive synthetic applications. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We adhere to cGMP principles where applicable, and our quality systems are designed to meet the stringent requirements of pharmaceutical R&D and process chemistry.

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). The compound is light-sensitive (store away from light). Keep the container tightly sealed in a dry environment to minimize exposure to moisture. For long-term storage, consider storage under inert atmosphere.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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