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Home > Encyclopedia > Benzene, 1-(2-iodoethyl)-4-octyl-

Benzene, 1-(2-iodoethyl)-4-octyl-

Benzene, 1-(2-iodoethyl)-4-octyl- structure

Benzene, 1-(2-iodoethyl)-4-octyl- 

structure
  • CAS No:

    162358-07-8

  • Formula:

    C16H25I

  • Chemical Name:

    Benzene, 1-(2-iodoethyl)-4-octyl-

  • Synonyms:

    1-(2-Iodoethyl)-4-octylbenzene;2-(4-OCTYLPHENYL)-1-IODOETHANE;Benzene, 1-(2-iodoethyl)-4-octyl-;2-(4-octylphenyl)ethyl iodide;4-Octylphenethyl iodide;SCHEMBL4254717;CTK6D8249;C16H25I;DTXSID60441591;BCP15346

  • Categories:

    Pharmaceutical Intermediates  >  CNS Agents

Description

Oil

Benzene, 1-(2-iodoethyl)-4-octyl- Basic Attributes

344

344.1

DTXSID60441591

Characteristics

0

7.5

1.261

367.9±21.0 °C(Predicted)

Benzene, 1-(2-iodoethyl)-4-octyl- Use and Manufacturing

Preparation of 2-(4-octylphenyl)ethyl iodide (IV) A mixture of 2-(4-Octylphenyl)ethanol (lOOgms; 0.427moles), dichloromethane (500ml) and triethylamine (I08gms, 1.067moles) were cooled between 0°C and 5°C. Methanesulfonyl chloride (73.1 lgms, 0.64 moles) was added gradually under nitrogen atmosphere and stirred for 2-5 hours between 0°C and 30°C, till completion of the reaction based on TLC monitoring. The reaction mixture was quenched with water (500ml) and organic layer after separation was concentrated under reduced pressure to yield the corresponding mesyl derivative, which was dissolved in methyl isobutyl ketone (1064 ml) containing tetrabutyl ammonium iodide (7.85gms) and sodium iodide (139.7gms). The reaction mixture was stirred for 3 hours and after completion of reaction, the mixture was quenched with water (665ml) and the organic layer concentrated under reduced pressure to give 2-(4-octylphenyl)ethyl iodide (IV).Yield: 150 gms (96.53percent)Example 7

Computed Properties

Molecular Weight:344.27
XLogP3:7.5
Rotatable Bond Count:9
Exact Mass:344.10010
Monoisotopic Mass:344.10010
Heavy Atom Count:17
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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