For organic chemists and materials scientists, understanding the molecular architecture and reactivity of chemical intermediates is the bedrock of innovative synthesis. N-benzyl-2-chloro-N-methyl-ethanamine, identified by its CAS number 17542-47-1, is a compound whose structure lends itself to a variety of synthetic transformations. Its molecular formula C10H14ClN and molecular weight of 183.6779 provide the foundational data, but it’s the arrangement of atoms and functional groups that truly unlocks its potential for chemists looking to buy and utilize it in their work.

Deconstructing the Molecule: Structure and Reactivity

The name N-benzyl-2-chloro-N-methyl-ethanamine itself offers clues to its structure and reactivity. It features:

  • A Benzyl Group: A phenyl ring attached to a methylene (-CH2-) group. This aromatic moiety can influence solubility and participate in electrophilic aromatic substitution reactions under specific conditions, though its primary role here is often as a substituent.
  • A Tertiary Amine: The nitrogen atom is bonded to the benzyl group, a methyl group, and the ethyl chain. Tertiary amines are nucleophilic and basic, capable of forming salts with acids or acting as catalysts in certain reactions. They can also be involved in oxidation or quaternization.
  • A Chloroethyl Group: The ethyl chain (-CH2CH2-) bears a chlorine atom at the 2-position. This chlorine atom is a good leaving group, making the adjacent carbon atom susceptible to nucleophilic attack. This SN2 reaction is a primary pathway for functionalizing this part of the molecule.

The interplay between the amine and the chloroethyl group is particularly important. The electron-donating nature of the tertiary amine might subtly influence the reactivity of the chloroethyl moiety. Furthermore, intramolecular reactions could potentially occur under certain conditions, though intermolecular reactions with external nucleophiles are more common when used as an intermediate.

Key Physical Parameters for Synthesis Planning

Beyond its structural features, practical synthesis requires knowledge of its physical properties. Chemists planning reactions involving N-benzyl-2-chloro-N-methyl-ethanamine will find the following data indispensable:

  • Boiling Point: 205.3°C at 760 mmHg. This high boiling point suggests it is not highly volatile at room temperature, facilitating handling, but also means that purification by distillation requires significant heat.
  • Flash Point: 77.9°C. This indicates it is a combustible liquid, requiring precautions against ignition sources in the laboratory.
  • Density: 1.056 g/cm³. Useful for calculating molar concentrations and mass-volume relationships.

These properties, combined with its reactive functional groups, make N-benzyl-2-chloro-N-methyl-ethanamine a versatile intermediate. Whether you're a purchasing manager looking to buy this compound or an R&D chemist designing a synthetic route, understanding these chemical fundamentals ensures efficient and safe utilization. Manufacturers and suppliers offering this chemical typically provide detailed specifications, aiding in informed procurement decisions.