Benzenebutanoic acid, 2,5-dimethyl-γ-oxo-

Benzenebutanoic acid, 2,5-dimethyl-γ-oxo- - Names and Identifiers

Name	4-(2,5-dimethylphenyl)-4-oxobutanoic acid
Synonyms	β-(2,5-Dimethylbenzoyl)propionic acid γ-Oxo-2,5-dimethylbenzenebutanoic acid Benzenebutanoic acid, 2,5-dimethyl-γ-oxo- 4-(2,5-Dimethylphenyl)-4-oxobutanoic acid 4-(2,5-dimethylphenyl)-4-oxobutanoic acid 4-(2,5-Dimethyl-phenyl)-4-oxo-butyric acid Benzenebutanoic acid, 2,5-dimethyl-gamma-oxo- 4-(2,5-dimethylphenyl)-4-oxobutanoic acid(DBA)
CAS	5394-59-2
InChI	InChI=1/C12H14O3/c1-8-3-4-9(2)10(7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)

Benzenebutanoic acid, 2,5-dimethyl-γ-oxo- - Physico-chemical Properties

Molecular Formula	C12H14O3
Molar Mass	206.24
Density	1.138±0.06 g/cm3(Predicted)
Melting Point	86 °C
Boling Point	215 °C(Press: 1 Torr)
Flash Point	203.2°C
Vapor Presure	9.58E-07mmHg at 25°C
pKa	4.54±0.17(Predicted)
Refractive Index	1.539

Benzenebutanoic acid, 2,5-dimethyl-γ-oxo- - Introduction

4-(2,5-dimethylphenyl)-4-oxobutanoic acid is an organic compound, its molecular formula is C13H16O3. The following is a detailed description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid is a colorless crystalline solid.
-Melting point: about 100-104 degrees Celsius.
-Solubility: It is soluble in some organic solvents, such as chloroform and dimethylformamide, but insoluble in water.

Use:
- 4-(2,5-dimethylphenyl)-4-oxobutanoic acid can be used as an intermediate of fine chemicals. It is often used as a reagent or catalyst in organic synthesis.
-It can also be used in research in the field of drug synthesis and medicine.

Preparation Method:
- 4-(2,5-dimethylphenyl)-4-oxobutanoic acid is generally synthesized by the following steps:
1. firstly, the esterification reaction of succinic acid and dimethyl benzyl alcohol is carried out to obtain the esterification product 2,5-dimethyl phenyl pyruvate;
2. Then, the esterification product is subjected to acid-catalyzed or base-catalyzed acidolysis to obtain the target product 4-(2,5-dimethylphenyl)-4-oxobutanoic acid.

Safety Information:
The chemical properties of -4-(2,5-dimethylphenyl)-4-oxobutanoic acid have not been fully evaluated for the human body and the environment, so it needs to be handled carefully.
-Wear appropriate personal protective equipment such as lab gloves, glasses, and lab clothes when handling.
-Avoid direct contact with skin, eyes and respiratory tract. The contaminated parts shall be thoroughly cleaned after treatment.
-It is recommended to use it in a well-ventilated place and store it in a sealed container, away from fire and oxidizing agents.

Last Update：2024-04-09 21:01:54