770-70-7

Basic information

• Product Name: 1-(CHLOROMETHYL)ADAMANTANE
• Synonyms: 1-(chloromethyl)adamantane; 1-chloromethyladamantane; 1-(chloromethyl)adamantine
• CAS NO: 770-70-7
• Molecular Formula: C₁₁H₁₇Cl
• Molecular Weight: 184.71
• Mol File: 770-70-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 247.6°C at 760 mmHg
• Flash Point: 102.6°C
• Appearance: /
• Density: 1.108g/cm³
• Vapor Pressure: 0.0401mmHg at 25°C
• Refractive Index: 1.532
• CAS DataBase Reference: 1-(CHLOROMETHYL)ADAMANTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(CHLOROMETHYL)ADAMANTANE(770-70-7)
• EPA Substance Registry System: 1-(CHLOROMETHYL)ADAMANTANE(770-70-7)

Safety Data

• Hazardous Substances Data: 770-70-7(Hazardous Substances Data)

Usage

General Description

1-(Chloromethyl)adamantane, also known as adamantyl chloromethyl ether or amantadine, is a chemical compound with the molecular formula C11H17Cl. It is a chloromethyl derivative of adamantane, a type of diamondoid hydrocarbon with a unique structure. 1-(Chloromethyl)adamantane is used as a building block in organic synthesis and as a precursor in the production of pharmaceuticals and other organic compounds. It has potential applications in the fields of materials science, drug development, and chemical research. Due to its unique structure and reactivity, 1-(Chloromethyl)adamantane is a valuable and versatile chemical compound with a wide range of potential uses.

InChI:InChI=1/C11H17Cl/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2

Upstream product

• 67-56-1 methanol 
• 75-05-8 acetonitrile 

Downstream Products

• 7131-11-5 1-benzyl(adamantane) 

Relevant articles and documents

Solvent-equilibrated ion pairs from carbene fragmentation reactions

[R+ OC Cl-] ion pairs were generated in methanol/dichloroethane solutions, with R+ as the 1-bicyclo[2.2.2]octyl, 1-adamantyl, or 3-homoadamantyl cation. Ion pairs were produced either by the direct fragmentation of alkoxychlorocarbenes (ROCCl), with R = 1-bicyclo[2.2.2]octyl, 1-adamantyl, or 3-homoadamantyl, or by the ring expansion-fragmentation of R′CH2OCCl, with R′ = 1-norbornyl, 3-noradamantyl, or 1-adamantyl. Correlations of the [ROMe]/[RCl] product ratios as a function of the mole fraction of MeOH in dichloroethane showed that the homoadamantyl chloride ion pairs, produced by either the direct or ring expansion-fragmentations, were identical, solvent- and anion -equilibrated, and precursor independent. Laser flash photolysis experiments gave 20-30 ps as the time required for solvent equilibration and precursor independence. Methanol/chloride selectivities of the (less-stable) 1-adamantyl chloride and 1-bicyclo[2.2.2]octyl chloride ion pairs were not independent of their ROCCl or R′CH2OCCl precursors. Computational studies provided transition states for the fragmentations and for the structures of the ion pairs.