Description

1H-Indene-5-Carbonitrile,Octahydro-3A-Hydroxy-7A-Methyl-1-Oxo-,(3As,5R,7As)-(9Ci) is a high-purity, stereochemically defined synthetic intermediate of significant interest in advanced organic synthesis. Its complex, functionalized indane core structure makes it a valuable building block for constructing pharmacologically active molecules. This compound is primarily sought after by research and development teams in the pharmaceutical and fine chemical industries for the synthesis of novel drug candidates and complex natural product analogs.

Application

• Pharmaceutical Intermediate: Serves as a key chiral precursor in the multi-step synthesis of proprietary active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and metabolic disorder targets.
• Medicinal Chemistry Research: Used as a scaffold for structure-activity relationship (SAR) studies and library synthesis to explore new chemical entities in drug discovery programs.
• Asymmetric Synthesis: Employed as a starting material or intermediate in catalytic asymmetric reactions due to its defined stereocenters at the 3a and 7a positions.
• Fine Chemical Production: Utilized in the custom synthesis of specialty chemicals, agrochemicals, and advanced materials requiring a complex, polyfunctional indane framework.
• Academic & Contract Research: Supplied to university laboratories and contract research organizations (CROs) for fundamental research in synthetic methodology and total synthesis projects.

Basic Information

Product Name	1H-Indene-5-Carbonitrile,Octahydro-3A-Hydroxy-7A-Methyl-1-Oxo-,(3As,5R,7As)-(9Ci)
CAS No.	500758-01-0
Molecular Formula	C11H15NO2
Molecular Weight	193.24 g/mol
Synonyms	(3aS,5R,7aS)-Octahydro-3a-hydroxy-7a-methyl-1-oxo-1H-indene-5-carbonitrile; (3aS,5R,7aS)-5-Cyanooctahydro-3a-hydroxy-7a-methyl-1H-inden-1-one; 1-Oxo-1H-indene-5-carbonitrile, octahydro-3a-hydroxy-7a-methyl-, (3aS,5R,7aS)-; 500758-01-0; (3aS,5R,7aS)-5-Cyano-3a-hydroxy-7a-methyloctahydro-1H-inden-1-one; (3aS,5R,7aS)-3a-Hydroxy-7a-methyloctahydro-1-oxo-1H-indene-5-carbonitrile
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high chemical purity. Quality is verified through a comprehensive suite of analytical techniques including HPLC, GC, NMR, and chiral analysis. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting identity, purity, and impurity profiles. We support development and commercial projects with specifications that can meet the requirements of cGMP and ICH guidelines for pharmaceutical starting materials.

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). This compound may be hygroscopic (moisture-sensitive); therefore, the container should be kept tightly sealed under an inert atmosphere if specified. Keep 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)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
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.