Description

tert-Butyl (5-Cyano-1H-Indol-1-Yl)Acetate is a high-purity, synthetically valuable indole derivative, serving as a critical protected intermediate in advanced organic synthesis. Its core value lies in enabling the efficient construction of complex molecules, particularly in pharmaceutical research and development. This compound is essential for medicinal chemists and process development scientists working on new drug candidates, especially in the areas of kinase inhibitors and other small-molecule therapeutics.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in oncology and CNS drug discovery.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization campaigns due to its versatile indole scaffold and protected carboxylate group.
• Process Chemistry Development: Serves as a standardized intermediate for scaling up synthetic routes under Good Manufacturing Practice (GMP) conditions.
• Bioconjugation & Probe Synthesis: The tert-butyl ester protecting group allows for selective deprotection, making it useful for creating labeled compounds or chemical probes for biological studies.
• Agrochemical Intermediate: Potential use in the synthesis of advanced crop protection agents that utilize functionalized indole structures.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological development and the exploration of new chemical spaces.

Basic Information

Product Name	tert-Butyl (5-Cyano-1H-Indol-1-Yl)Acetate
CAS No.	1229608-56-3
Molecular Formula	C₁₅H₁₆N₂O₂
Molecular Weight	256.30 g/mol
Synonyms	1H-Indole-1-acetic acid, 5-cyano-, 1,1-dimethylethyl ester; tert-Butyl 2-(5-cyano-1H-indol-1-yl)acetate; (5-Cyano-1H-indol-1-yl)acetic acid tert-butyl ester; 1-(tert-Butoxycarbonylmethyl)-5-cyanoindole; 5-Cyanoindole-1-acetic acid tert-butyl ester; tert-Butyl (5-cyanoindol-1-yl)acetate
EINECS	Contact for details

Quality Control

Our tert-Butyl (5-Cyano-1H-Indol-1-Yl)Acetate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity suitable for research and development. Each lot is accompanied by a comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles as determined by advanced analytical techniques including HPLC, NMR, and mass spectrometry. We adhere to relevant industry guidelines to support our customers' regulatory and compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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