1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane | CAS No. 212771-30-7

1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane

Basic Information

CAS Number

212771-30-7

Molecular Formula

C15H22ClNO

Molecular Weight

267.8 g/mol

AD

Basic Physical Properties

ClCC1=CC=C(OCCN2CCCCCC2)C=C1

InChI

InChI=1S/C15H22ClNO/c16-13-14-5-7-15(8-6-14)18-12-11-17-9-3-1-2-4-10-17/h5-8H,1-4,9-13H2

InChIKey

FGCIQSBZGOVNLI-UHFFFAOYSA-N

LogP

3.680200000000003

Topological Polar Surface Area

12.47 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

  • 1H-Azepine, 1-[2-[4-(chloromethyl)phenoxy]ethyl]hexahydro-
  • 1-(2-(4-(chloromethyl)phenoxy)ethyl)azepane
  • 1-(2-(4-(CHLOROMETHYL)PHENOXY)ETHYL)AZEPANE HYDROCHLORIDE
  • 1-[2-[4-(chloromethyl)phenoxy]ethyl]azepane

MDL Number

MFCD09955504

FAQ

What are the physical and chemical properties of 1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane (CAS: 212771-30-7)?

1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane is a colorless to light yellow oil with a molecular weight of approximately 315.25 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and dichloromethane. It exhibits moderate reactivity, particularly towards nucleophiles, and can undergo substitution reactions. It crystallizes in the form of a white solid at low temperatures.

How is 1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane (CAS: 212771-30-7) typically synthesized?

1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane is typically synthesized through a multi-step process involving the coupling of a chloromethylated phenol with azepane using a suitable base as a catalyst. The reaction is carried out in an organic solvent at a controlled temperature, leading to a high yield of the desired product with good functional group compatibility.

What industries use 1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane (CAS: 212771-30-7)?

1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane is primarily used in pharmaceuticals for its potential as an intermediate in drug synthesis. It may also be used in the production of polymers and as a component in sensors and semiconductor materials due to its unique chemical properties.

What precautions should be taken when handling 1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane (CAS: 212771-30-7)?

When handling 1-{2-[4-(Chloromethyl)phenoxy]ethyl}azepane, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Ensure the use of a fume hood to minimize exposure to volatile components. Store the compound in a cool, dry place away from direct sunlight and incompatible materials. In case of a spill, follow the safety data sheet (SDS) guidelines for proper disposal.

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