4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER

4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER - Names and Identifiers

Name	methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate
Synonyms	AKOS B018672 AKOS BBS-00001164 ART-CHEM-BB B018672 SALOR-INT L499226-1EA Methyl 4-chloro-a,g-dioxo-benzenebutanoate methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate METHYL 4-(4-CHLOROPHENYL)-2,4-DIOXOBUTANOATE 4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER Benzenebutanoic acid, 4-chloro-α,γ-dioxo-, methyl ester
CAS	39757-35-2
InChI	InChI=1/C11H9ClO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3

4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER - Physico-chemical Properties

Molecular Formula	C11H9ClO4
Molar Mass	240.64
Density	1.314±0.06 g/cm3(Predicted)
Melting Point	118-120°C
Boling Point	381.9±22.0 °C(Predicted)
Flash Point	164.9°C
Vapor Presure	4.89E-06mmHg at 25°C
pKa	5.66±0.25(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.533

4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER - Risk and Safety

Hazard Class

IRRITANT

4-(4-CHLORO-PHENYL)-2,4-DIOXO-BUTYRIC ACID METHYL ESTER - Introduction

methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate, also known as methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate, is an organic compound. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: White crystalline solid
-Molecular formula: C12H9ClO4
-Molecular weight: 250.65g/mol
-Melting point: 82-84°C
-Boiling point: 363.6°C

Use:
- methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate is an intermediate widely used in the field of pesticides and pharmaceuticals. It can be used to synthesize other organic substances, such as active ingredients of pesticides and drugs.

Preparation Method:
Methyl 4-(4-chlorophenyl)-2,4-dioxobutyrate can be synthesized by the following steps:
1. the reaction of p-cresol with alkali to generate p-cresol sodium.
2. will be p-cresyl sodium and carbon tetrachloride reaction, generation of methyl phenol.
3. the oxidation reaction of methyl phenol and oxygen under alkaline conditions to generate 4-formic acid phenol.
4. The 4-carboxylic acid phenol reacts with tert-butyl carbonyl chloride to generate 4-formate.
5. methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate was synthesized by replacing hydroxyl group in 4-formate with chloro group by chloro alkyl carbonyl reaction.

Safety Information:
- methyl 4-(4-chlorophenyl)-2,4-dioxobutanoate may be harmful to humans when exposed for a long time or when inhaled in large quantities. Avoid inhalation, ingestion, or contact with skin and eyes.
-If taken by mistake or inhaled, seek medical attention immediately.
-When using or handling the compound, appropriate safety measures must be taken, such as wearing protective gloves and goggles, and ensuring that it is operated in a well-ventilated place.

Last Update：2024-04-09 02:00:45