2,4-dioxo-4-phenylbutanoic acid methyl ester

2,4-dioxo-4-phenylbutanoic acid methyl ester - Names and Identifiers

Name	METHYL 2,4-DIOXO-4-PHENYLBUTANOATE
Synonyms	NSC 208703 Methyl benzoylpyruvate Methyl 2,4-dioxo-4-phenylbutyrate Methyl 4-phenyl-2,4-dioxobutanoate METHYL 2,4-DIOXO-4-PHENYLBUTANOATE 2,4-dioxo-4-phenylbutanoic acid methyl ester 2,4-diketo-4-phenyl-butyric acid methyl ester alpha,gamma-Dioxobenzenebutanoic acid methyl ester
CAS	20577-73-5

2,4-dioxo-4-phenylbutanoic acid methyl ester - Physico-chemical Properties

Molecular Formula	C11H10O4
Molar Mass	206.19
Density	1.205±0.06 g/cm3(Predicted)
Melting Point	59-60°C
Boling Point	335.6±25.0 °C(Predicted)
Solubility	Chlroform (Slightly), DMSO (Slightly)
Appearance	Solid
Color	Light Brown to Brown
pKa	5.95±0.23(Predicted)
Storage Condition	Sealed in dry,Room Temperature

2,4-dioxo-4-phenylbutanoic acid methyl ester - Risk and Safety

Hazard Class

IRRITANT

2,4-dioxo-4-phenylbutanoic acid methyl ester - Upstream Downstream Industry

Downstream Products

5-PHENYLISOXAZOLE-3-CARBALDEHYDE
1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
5-PHENYLISOXAZOLE-3-CARBOXYLIC ACID

2,4-dioxo-4-phenylbutanoic acid methyl ester - Introduction

METHYL 2,4-dioxo-4-phenylbutanoate is an organic compound with the chemical formula C11H10O4. Its Properties, Uses, preparation methods and safety information are as follows:

Nature:
-Appearance: Colorless or light yellow liquid.
-Odor: Has a fragrant odor.
-Density: about 1.26g/cm³.
-Boiling point: about 170-175 ° C (normal air pressure).
-Melting point: About -15 ° C.
-Solubility: Soluble in alcohols, ethers and organic solvents, insoluble in water.

Use:
METHYL 2,4-dioxo-4-phenylbutanoate is often used in organic synthetic chemical reactions as an important intermediate and starting material. Specific uses include:
-Intermediates used in the preparation of drugs and pesticides.
-Intermediates for the preparation of dyes and coatings.
-For synthetic fragrances and flavors.
-Used as a protecting group for ketocarboxylic acids in organic synthesis research.

Method:
METHYL 2,4-dioxo-4-phenylbutanoate is usually prepared by the following steps:
1. Dissolve acetophenone in dimethyl sulfoxide.
2. Adding dimethyl malonate (dimethyl malonate) and base catalyst.
3. The reaction is heated and stirred continuously.
4. After completion of the reaction, cool and neutralize with acid.
5. The product is separated and purified by crystallization or distillation to obtain the target product.

Safety Information:
METHYL 2,4-dioxo-4-phenylbutyanoate is a chemical, so it needs to be handled and stored carefully, and pay attention to the following safety precautions:
-Contact with skin and eyes may cause irritation and burns. Personal protective equipment such as gloves and goggles should be worn during operation.
-Inhalation of excessive amounts of vapors may cause headaches, eye pain and throat discomfort. Be sure to operate or wear respiratory protection in a well-ventilated area.
-Do not mix this compound with strong oxidants, strong acids or strong bases to avoid dangerous reactions.
-When using and storing, please refer to the relevant safety data form and strictly observe the safety operation specification.

Last Update：2024-04-09 20:49:11