Description

Benzene, [(1R,2S)-2-Methyl-1-(1-Methylethyl)Cyclopropyl]-, Rel- (9Ci) CAS NO 599174-69-3 is a chiral, substituted cyclopropane derivative of benzene, characterized by its specific stereochemistry. This compound is a highly volatile and specialized organic intermediate of significant interest in advanced chemical synthesis. It is primarily sought by research and development teams in the pharmaceutical and agrochemical sectors for its utility in constructing complex molecular architectures. The defined stereochemistry and unique structure make it a valuable building block for creating novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for drugs targeting the central nervous system or with specific steric requirements.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides where the cyclopropane ring and specific stereochemistry contribute to biological activity and selectivity.
• Ligand and Catalyst Development: Acts as a precursor for chiral ligands or organocatalysts used in asymmetric synthesis, enabling the production of enantiomerically pure compounds.
• Material Science Research: Investigated as a monomer or building block for novel polymers and advanced organic materials with specific optical or electronic properties.
• Flavor and Fragrance Industry: Potential use in the synthesis of complex, naturally-inspired aroma chemicals due to its unique bicyclic structure.
• Academic and Industrial R&D: A valuable reference standard and starting material for methodological studies in organic chemistry, including cyclopropanation and stereoselective reactions.

Basic Information

Product Name	Benzene, [(1R,2S)-2-Methyl-1-(1-Methylethyl)Cyclopropyl]-, Rel- (9Ci)
CAS No.	599174-69-3
Molecular Formula	C13H18
Molecular Weight	174.28 g/mol
Synonyms	(1R,2S)-1-Isopropyl-2-methylcyclopropylbenzene; rel-(1R,2S)-1-Isopropyl-2-methyl-1-(phenyl)cyclopropane; (1R,2S)-2-Methyl-1-(1-methylethyl)-1-phenylcyclopropane; rel-(1R,2S)-1-Isopropyl-2-methylcyclopropylbenzene; Benzene, [(1R,2S)-2-methyl-1-(1-methylethyl)cyclopropyl]-; Chiral Isopropylmethylcyclopropylbenzene
EINECS	Contact for details

Quality Control

Our production of this specialized chiral intermediate adheres to strict quality protocols. Each batch undergoes comprehensive analysis to ensure identity, purity, and stereochemical integrity. Certificates of Analysis (COA) are provided, detailing results from chiral HPLC, GC, NMR, and other relevant spectroscopic methods. We support cGMP and ISO 9001 compliant manufacturing for advanced R&D and scale-up projects, ensuring traceability and consistency for critical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed when not in use and are stored away from heat sources and open flames.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee (rel-(1R,2S))
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.