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3-methyl-2-oxobutyric acid (CAS# 759-05-7)

Chemical Property:

Molecular Formula C5H8O3
Molar Mass 116.12
Density 0.9968
Melting Point 31.5℃
Boling Point 170.5℃
JECFA Number 631
Water Solubility 400.6g/L(20 ºC)
pKa 2.57±0.54(Predicted)
Storage Condition 2-8°C
Refractive Index 1.3850
In vitro study 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli . 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) enhances alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid, but diminishes the corresponding amino acids, and causes an early decline of ornithine along with a late augmentation of plasma arginine.
In vivo study 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats.

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Introduction

3-Methyl-2-oxobutyric acid, also known as tert-butoxypropionic acid, TBAOH, is an organic compound.

 

Quality:

3-Methyl-2-oxobutyric acid is a colorless to pale yellow liquid with a peculiar odor. It can be soluble in water and many organic solvents, but insoluble in non-polar solvents such as petroleum ethers.

 

Use:

3-Methyl-2-oxobutyric acid is often used as an alkali catalyst in organic synthesis, especially in substitution reactions. It can catalyze reactions such as esterification, etherification, amidation, olefin addition, etc. It can also be used as a liquid-phase catalyst to catalyze reactions such as oxidation, hydrogenation, and alkydation.

 

Method:

3-Methyl-2-oxobutyric acid can be obtained by reacting propanol with sodium tert-butoxide (or tert-butanol and sodium hydroxide). The specific step is to react propanol with tert-butyl sodium oxide at an appropriate temperature, and then the product is obtained by deactivation.

 

Safety Information:

3-Methyl-2-oxobutyric acid is irritating and corrosive and should be avoided from contact with the skin, eyes, and respiratory tract. Protective gloves, goggles, and masks should be worn during use. In case of accidental contact, rinse with plenty of water and seek medical attention immediately. It should be stored in a cool, ventilated place, away from fire and oxidants.


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