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4-Hydroxy-α-(1-methylethyl)benzeneacetic acid

4-Hydroxy-α-(1-methylethyl)benzeneacetic acid structure

4-Hydroxy-α-(1-methylethyl)benzeneacetic acid 

structure
  • CAS No:

    70124-98-0

  • Formula:

    C11H14O3

  • Chemical Name:

    4-Hydroxy-α-(1-methylethyl)benzeneacetic acid

  • Synonyms:

    Benzeneacetic acid,4-hydroxy-α-(1-methylethyl)-;4-Hydroxy-α-(1-methylethyl)benzeneacetic acid;2-(4-Hydroxyphenyl)-3-methylbutyric acid;2-(4-Hydroxyphenyl)-3-methylbutanoic acid;77104-38-2

  • Categories:

    Agrochemicals  >  Pesticide Intermediates

Description

2-(4-hydroxyphenyl)-3-methylbutyric acid is a member of phenols. It derives from an isovaleric acid.

4-Hydroxy-α-(1-methylethyl)benzeneacetic acid Basic Attributes

194.23

194.23

274-323-2

Characteristics

57.53000

2.21640

1.17g/cm3

342.8ºC at 760 mmHg

175.3ºC

1.553

4-Hydroxy-α-(1-methylethyl)benzeneacetic acid Use and Manufacturing

Methods of Manufacturing

The Japanese Ihara Chemical Company once proposed that 2-(4-chlorophenyl)-3-methylbutyronitrile be hydrolyzed under pressure. Zhang Zheng et al. proposed to use 2-(4-chlorophenyl)-3-methylbutyric acid to react in the presence of catalyst Cu and Cu2O at a temperature of 180°C. The reaction should be carried out under normal pressure with a yield of ≥90%. reusable. The method is simple, can be industrialized, and can use 2-(4-chlorophenyl)-3-methylbutyric acid, an intermediate for producing fenvalerate, as a raw material. Place 2-(4-chlorophenyl)-3-methylbutyric acid, water, sodium hydroxide and complex copper catalyst in a bomb-type autoclave, heat to 180℃, react for 5h, add butyric acid 4 after cooling Double the amount of water, filter, recover the copper catalyst, adjust pH = 2 to 3 with concentrated hydrochloric acid, obtain a gray solid, and obtain white needle-like crystals after recrystallization, mp171-173°C, yield 71.5%.

Uses

2-(4-Hydroxyphenyl)-3-methylbutyric acid is an intermediate of fenvalerate and deltamethrin.

Computed Properties

Molecular Weight:194.23
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:57.5
Heavy Atom Count:14
Complexity:193
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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