Description

(1R,7Ar)-Octahydro-1-[(S)-1-Isothiocyanato-2-Methylpropyl]-3Aα-Methyl-7-Methylene-1H-Indene is a specialized chiral isothiocyanate derivative, a high-value intermediate prized for its unique stereochemistry and reactive functional group. Its primary commercial value lies in enabling the synthesis of complex, biologically active molecules with precise stereochemical control. This compound is essential for research and development in the pharmaceutical and agrochemical industries, where it serves as a key building block for novel active ingredients.

Application

• Pharmaceutical Intermediate: A critical chiral synthon for the development of new drug candidates, particularly in areas requiring complex terpene-derived scaffolds.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging its reactive isothiocyanate group for conjugation.
• Chemical Biology & Proteomics: Acts as an electrophilic probe for labeling and studying biological targets due to the reactivity of the isothiocyanate moiety with nucleophiles like amines and thiols.
• Asymmetric Catalysis Research: Serves as a valuable substrate or ligand precursor in the development of new stereoselective synthetic methodologies.
• Fine Chemical Production: Employed in the multi-step synthesis of other high-value, specialty chemicals where its specific stereochemistry is required.

Basic Information

Product Name	(1R,7Ar)-Octahydro-1-[(S)-1-Isothiocyanato-2-Methylpropyl]-3Aα-Methyl-7-Methylene-1H-Indene
CAS No.	53822-97-2
Molecular Formula	C16H25NS
Molecular Weight	263.44 g/mol
Synonyms	(1R,7aR)-Octahydro-1-[(1S)-1-Isothiocyanato-2-methylpropyl]-3a-methyl-7-methylene-1H-indene; (1R,7aR)-1-[(1S)-1-Isothiocyanato-2-methylpropyl]octahydro-3a-methyl-7-methylene-1H-indene; (-)-Menthyl Isothiocyanate derivative; Chiral Isothiocyanate Terpene; (1S,1'R,3aR,7aR)-1'-Isothiocyanato-1,3a-dimethyl-7-methylenecctahydro-1H-indene
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management protocols to ensure batch-to-batch consistency and high chemical purity. Every lot is fully characterized using techniques including HPLC, GC, NMR, and chiral analysis to confirm identity, purity, and enantiomeric excess. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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