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Home > Encyclopedia > 3-BroMo-5-(trifluoroMethyl)anisole

3-BroMo-5-(trifluoroMethyl)anisole

3-BroMo-5-(trifluoroMethyl)anisole structure

3-BroMo-5-(trifluoroMethyl)anisole 

structure
  • CAS No:

    627527-23-5

  • Formula:

    C8H6BrF3O

  • Chemical Name:

    3-BroMo-5-(trifluoroMethyl)anisole

  • Synonyms:

    1-Bromo-3-methoxy-5-(trifluoromethyl)benzene;3-Bromo-5-(trifluoromethyl)anisole;1-BROMO-3-(TRIFLUOROMETHYL)-5-METHOXYBENZENE;Benzene, 1-bromo-3-methoxy-5-(trifluoromethyl)-;1-bromo-3-methoxy-5-trifluoromethyl-benzene;SCHEMBL5783571;CTK8B6550;DTXSID80623711;ACT13021;KS-00000PY4

Description

light yellow liquid

3-BroMo-5-(trifluoroMethyl)anisole Basic Attributes

255.0318496

253.955399

DTXSID80623711

2909309090

Characteristics

9.2

3.5

1.6±0.1 g/cm3

201℃

93℃

1.471

3-BroMo-5-(trifluoroMethyl)anisole Use and Manufacturing

Preparation of intermediate3-Methoxy-5-(trifluoromethyl)benzenamine (20 g, 104. 6 mmol) was added portion- wise to a cooled solution of NaN0d) Preparation of Intermediate 4 3-Methoxy-5-(trifluoromethyl)benzenamine (20 g, 104.6 mmol) was added portion-wise to a cooled solution of NaNOA mixture of 3-(tert-butyl)-5-methylphenol (1.5 g, 9.13 mmol), iodomethane (1.43 g, 10mmol) and K2C03 (1.89 g, 13.7 mmol) in acetone (20 mL) was heated with stuffing at 60 °C for3 hrs. The mixture was cooled down to rt and filtered. The filtrate was concentrated in vacuo to give crude 1-bromo-3-methoxy-5-(trifluoromethyl)benzene (1.98 g) which was used in the next step without further purification.A mixture of 3-(tert-butyl)-5-methylphenol (1.5 g, 9.13 mmol), iodomethane (1.43 g, 10mmol) and K2C03 (1.89 g, 13.7 mmol) in acetone (20 mL) was heated with stuffing at 60 C for3 hrs. The mixture was cooled down to rt and filtered. The filtrate was concentrated in vacuo to give crude To a mixture of Step 2: Preparation of 8-[3-methoxy-5-(trifluoromethyl)phenyl]-1, 4-dioxa-8- azaspiro[4.5]decane To a mixture of

Computed Properties

Molecular Weight:255.03
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:253.95541
Monoisotopic Mass:253.95541
Topological Polar Surface Area:9.2
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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