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Home > Encyclopedia > METHYLALPHA-BROMOPHENYLACETATE

METHYLALPHA-BROMOPHENYLACETATE

METHYLALPHA-BROMOPHENYLACETATE structure

METHYLALPHA-BROMOPHENYLACETATE 

structure
  • CAS No:

    704-65-4

  • Formula:

    C9H9BrO2

  • Chemical Name:

    METHYLALPHA-BROMOPHENYLACETATE

  • Synonyms:

    2-(Bromomethyl)phenyl acetate;methyl alpha-bromophenyl acetate;[2-(bromomethyl)phenyl] acetate;2-acetoxy-phenylmethyl bromide;1-Acetoxy-2-bromomethylbenzene;SCHEMBL2791448;KS-00000S6Y;2-acetoxy-1,4-(bromomethyl)benzene;MFCD20487652;ZINC39204480

METHYLALPHA-BROMOPHENYLACETATE Basic Attributes

229.07

227.979

Characteristics

26.3

2.5

METHYLALPHA-BROMOPHENYLACETATE Use and Manufacturing

General procedure: 2'-Methyl phenyl benzoate (2a) (3.18 g, 15 mmol) and N-bromosuccinimide (2.67 g, 15 mmol) were taken in dry CCl60.07 g of [2-(bromoethyl)phenyl] acetate, 400 mmol of 2-methylphenylacetic acid, 106.8 g of N-bromosuccinimide and 500 ml of cyclohexane were added to a 1 L flask and added with vigorous stirring3.284 g of azobisisobutyronitrile and stir for 30 minutes, Mixing was stirred at 80C until no further conversion was observed. Work-up after reaction: then cooled to room temperature, the precipitate was removed by filtration and the filtrate was washed with cyclohexane to give compound S6-5 in 90percent yield.Starting compound 64a (225 mg, 0.262 mmol) and anhydrous potassium carbonate (256 mg, 1.85 mmol) were placed into a 50 mF flask under argon atmosphere and anhydrous acetonitrile (20 mF) was added.

Computed Properties

Molecular Weight:229.07
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:227.97859
Monoisotopic Mass:227.97859
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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