Description

Oxirane, 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]- (CAS No. 134818-68-1) is a highly specialized epoxide compound with the molecular formula C₁₂H₁₂Cl₂O. This organochlorine derivative features a unique cyclopropyl and chlorophenylmethyl substitution pattern, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound’s IUPAC name is 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane, and it is characterized by its reactive oxirane (epoxide) ring, which can undergo ring-opening reactions for further functionalization. With a molecular weight of 243.13 g/mol, this chemical is typically supplied as a high-purity solid or solution for research purposes. Proper handling requires appropriate personal protective equipment due to its potential reactivity. Researchers utilize this compound for developing novel pharmacophores, studying epoxide reactivity, and as a building block in asymmetric synthesis.

Properties

• CAS Number: 134818-68-1
• Complexity: 264
• IUPAC Name: 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane
• InChI: InChI=1S/C12H12Cl2O/c13-10-4-2-1-3-9(10)7-12(8-15-12)11(14)5-6-11/h1-4H,5-8H2
• InChI Key: IKKKLHQSHUAIMM-UHFFFAOYSA-N
• Exact Mass: 242.0265204
• Molecular Formula: C12H12Cl2O
• Molecular Weight: 243.13
• SMILES: C1CC1(C2(CO2)CC3=CC=CC=C3Cl)Cl
• Topological: 12.5
• Monoisotopic Mass: 242.0265204
• Physical Description: Liquid
• Synonyms: 134818-68-1, Oxirane, 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]-, 2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane, Oxirane, 2-(1-chlorocyclopropyl)-2-((2-chlorophenyl)methyl)-, DTXSID30888959, 2-(1-Chlorocyclopropyl)-2-((2-chlorophenyl)methyl)oxirane, DTXCID401028229, 603-875-2, SCHEMBL6573590, IKKKLHQSHUAIMM-UHFFFAOYSA-N, 2-(2-Chlorobenzyl)-2-(1-chlorocyclopropyl)oxirane

Application

This specialized epoxide compound serves as a key intermediate in pharmaceutical research, particularly in the development of novel bioactive molecules with potential therapeutic applications. The reactive oxirane ring enables ring-opening reactions for creating diverse molecular architectures. Researchers utilize it in asymmetric synthesis and as a precursor for complex heterocyclic systems. Its unique substitution pattern makes it valuable for studying structure-activity relationships in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Skin Sens. 1 (100%)
• Aquatic Acute 1 (100%)
• Aquatic Chronic 1 (100%)

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