Description

2H-Indol-2-One,1-(3-Butynyl)-1,3,3A,4,5,6-Hexahydro-3A-Methyl-(9Ci) is a complex, high-purity indole derivative that serves as a critical advanced intermediate in modern synthetic chemistry. Its unique bridged-ring structure with an alkyne functional group makes it a valuable building block for constructing novel molecular architectures. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for the synthesis of new active ingredients and for use in medicinal chemistry programs.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) and oncology research.
• Medicinal Chemistry Research: Used in high-throughput screening and structure-activity relationship (SAR) studies to develop new pharmacophores.
• Agrochemical Synthesis: Intermediate in the development of new pesticides and herbicides with complex heterocyclic structures.
• Chemical Biology Probes: Utilized in the creation of specialized probes and ligands for studying biological pathways and protein interactions.
• Academic & Industrial R&D: Serves as a sophisticated starting material for methodological development and novel compound library generation in synthetic organic chemistry.
• Custom Synthesis & Contract Manufacturing: A critical raw material for CDMOs (Contract Development and Manufacturing Organizations) producing bespoke compounds for client projects.

Basic Information

Product Name	2H-Indol-2-One,1-(3-Butynyl)-1,3,3A,4,5,6-Hexahydro-3A-Methyl-(9Ci)
CAS No.	810681-62-0
Molecular Formula	C14H19NO
Molecular Weight	217.31 g/mol
Synonyms	1-(3-Butyn-1-yl)-1,3,3a,4,5,6-hexahydro-3a-methyl-2H-indol-2-one; 1-(3-Butynyl)-1,3,3a,4,5,6-hexahydro-3a-methyl-2H-indol-2-one; 3a-Methyl-1-(3-butynyl)octahydro-2H-indol-2-one; 1-(But-3-yn-1-yl)-3a-methyloctahydro-2H-indol-2-one; (3aR)-1-(But-3-yn-1-yl)-3a-methyloctahydro-2H-indol-2-one (enantiomer); (3aS)-1-(But-3-yn-1-yl)-3a-methyloctahydro-2H-indol-2-one (enantiomer); 9CI Index Name Derivative
EINECS	Contact for details

Quality Control

Our production of 2H-Indol-2-One,1-(3-Butynyl)-1,3,3A,4,5,6-Hexahydro-3A-Methyl-(9Ci) adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. All materials are characterized using advanced analytical techniques including HPLC, GC-MS, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). Keep the container tightly sealed when not in use to protect from moisture and contamination. Store away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
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.