Description

Bicyclo[2.1.1]Hexane-1-Carbonyl Chloride, 5,5-Dimethyl- (9Ci) is a specialized, high-value building block featuring a rigid bicyclic framework. This compound is critical for advanced organic synthesis, particularly in the development of novel pharmaceuticals and agrochemicals where its unique steric and electronic properties are leveraged. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates targeting central nervous system (CNS) disorders.
• Agrochemical Synthesis: Used in the research and development of novel herbicides and pesticides, where the bicyclo[2.1.1]hexane scaffold can impart favorable biological activity and metabolic stability.
• Ligand and Catalyst Development: Employed in the creation of novel chiral ligands and organocatalysts for asymmetric synthesis.
• Material Science Research: Acts as a monomer or cross-linking agent in the development of polymers with unique thermal and mechanical properties.
• Chemical Biology Probes: Utilized to synthesize molecular probes for studying enzyme function and protein-protein interactions due to its ability to introduce a constrained, three-dimensional structure.
• Academic & Industrial R&D: A valuable reagent for methodological studies in organic chemistry, including cycloaddition reactions and ring-strain chemistry.

Basic Information

Product Name	Bicyclo[2.1.1]Hexane-1-Carbonyl Chloride, 5,5-Dimethyl- (9Ci)
CAS No.	79635-05-5
Molecular Formula	C9H13ClO
Molecular Weight	172.65 g/mol
Synonyms	5,5-Dimethylbicyclo[2.1.1]hexane-1-carbonyl chloride; 5,5-Dimethylbicyclo[2.1.1]hexan-1-carbonyl chloride; 1-(Chlorocarbonyl)-5,5-dimethylbicyclo[2.1.1]hexane; 5,5-Dimethyl-1-bicyclo[2.1.1]hexanecarbonyl chloride; Bicyclo[2.1.1]hexane-1-carbonyl chloride, 5,5-dimethyl-; 79635-05-5 (CAS)
EINECS	Contact for details

Quality Control

Every batch of Bicyclo[2.1.1]Hexane-1-Carbonyl Chloride, 5,5-Dimethyl- (9Ci) undergoes rigorous analytical testing to ensure identity, purity, and consistency. Our quality assurance protocols are designed to meet the stringent requirements of research and development applications. A comprehensive Certificate of Analysis (COA) detailing purity (typically by GC or HPLC), identity confirmation (by IR and/or NMR), and impurity profiles is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic and acid chloride nature, it must be kept under an inert atmosphere (e.g., nitrogen or argon) and separated from moisture, strong bases, and oxidizing agents. Recommended storage temperature is 2-8°C for long-term stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 95.0% (Typical 97-99%)
Water Content (KF)	≤ 0.5%

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