Description

tert-Butyl 3-(Cyanomethyl)-5-Methoxy-1H-Indole-1-Carboxylate is a high-value, multi-functional indole derivative serving as a critical synthetic intermediate in advanced organic chemistry. Its core value lies in its versatile molecular scaffold, which incorporates both a protected indole nitrogen and reactive cyano and methoxy functional groups, enabling precise and complex molecular construction. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, particularly for the synthesis of novel active pharmaceutical ingredients (APIs) and fine chemicals.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of complex indole-based drug candidates, including potential kinase inhibitors and receptor modulators.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and plant growth regulators that utilize the indole core structure.
• Organic Synthesis: Serves as a versatile precursor for further functionalization, including hydrolysis, reduction, and cross-coupling reactions to create diverse chemical libraries.
• Material Science: Investigated as a monomer or precursor for specialty polymers and advanced organic electronic materials.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological development and exploratory research in heterocyclic chemistry.

Basic Information

Product Name	tert-Butyl 3-(Cyanomethyl)-5-Methoxy-1H-Indole-1-Carboxylate
CAS No.	896101-79-4
Molecular Formula	C16H18N2O3
Molecular Weight	286.33 g/mol
Synonyms	1H-Indole-1-carboxylic acid, 3-(cyanomethyl)-5-methoxy-, 1,1-dimethylethyl ester; 1-Boc-3-(cyanomethyl)-5-methoxyindole; tert-Butyl 3-(cyanomethyl)-5-methoxyindole-1-carboxylate; 5-Methoxy-1H-indole-1-carboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester; Boc-3-cyanomethyl-5-methoxyindole; 896101-79-4; 3-Cyanomethyl-5-methoxy-1H-indole-1-carboxylic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our production of tert-Butyl 3-(Cyanomethyl)-5-Methoxy-1H-Indole-1-Carboxylate adheres to stringent in-process controls to ensure batch-to-batch consistency and high purity suitable for research and scale-up applications. We employ advanced analytical techniques including HPLC, GC, NMR, and mass spectrometry for comprehensive characterization. A Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. 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 (HPLC)	Conforms to reference standard
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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