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Home > Encyclopedia > (3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid structure

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid 

structure
  • CAS No:

    1003298-72-3

  • Formula:

    C6H5BClFO3

  • Chemical Name:

    (3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid

  • Synonyms:

    (3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid;3-Chloro-5-fluoro-4-hydroxyphenylboronic acid;BORONIC ACID, B-(3-CHLORO-5-FLUORO-4-HYDROXYPHENYL)-;SCHEMBL4051258;AKOS006322465;ZINC169748173;AK-61377;BC001793;DS-14764;CS-0098013

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid Basic Attributes

190.3645032

190

2931900090

Characteristics

60.7

-0.13550

335.5±52.0°C at 760 mmHg

(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid Use and Manufacturing

Intermediate 83-Chloro-5-fluoro-4-hydroxyphenyl-boronic acid4-Bromo-2-chloro-6-fluoro-phenol (0.50Og, 2.21 mmol) is dissolved in dry THF, the reaction mixture is cooled to -78 C (dry-ice/acetone bath) and 2.5M n-butylithium (1.06 ml, 2.66 mmol) is slowly added drop wise with stirring for 5 minutes. TMSCl (0.298 ml, 2.33 mmol) is added drop wise maintaining the temperature below -70 C and the reaction mixture is stirred for 30 minutes. Boric acid triethyl ester is then added (0.385 ml, 2.26 mmol) followed by the second addition of n-butylitlium (1.06 ml, 2.66 mmol) maintaining the temperature below -65 C. The reaction mixture is stirred at -70 C for 30 minutes then

Computed Properties

Molecular Weight:190.37
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:190.0004300
Monoisotopic Mass:190.0004300
Topological Polar Surface Area:60.7
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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