ChemicalBook > CAS DataBase List > 3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Product Name: 3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
CAS No.: 53090-43-0
Chemical Name: 3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
Synonyms: ETHYL (3,4-DICHLOROBENZOYL)ACETATE;Ethyl 2-(3,4-dichlorobenzoyl)acetate;Ethyl 3,4-dichloro-β-oxobenzenepropanoate;Ethyl 3-(3,4-dichlorophenyl)-3-oxopropionate;ETHYL 3-(3,4-DICHLOROPHENYL)-3-OXOPROPANOATE;Benzenepropanoic acid, 3,4-dichloro-β-oxo-, ethyl ester;Benzenepropanoic acid, 3,4-dichloro-b-oxo-, ethyl ester;3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER;3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER ISO 9001：2015 REACH
CBNumber: CB2450595
Molecular Formula: C11H10Cl2O3
Formula Weight: 261.1
MOL File: 53090-43-0.mol

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3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Property

Boiling point:: 357.6±32.0 °C(Predicted)
Density: 1.319
storage temp.: Sealed in dry,Room Temperature
pka: 9.62±0.48(Predicted)
Appearance: Colorless to light yellow Liquid

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

AK Scientific

Product number: 7523AB
Product name: Ethyl3-(3,4-dichlorophenyl)-3-oxopropanoate
Packaging: 250mg
Price: $139
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0320363
Product name: ETHYL 3-(3,4-DICHLOROPHENYL)-3-OXOPROPANOATE
Purity: 95.00%
Packaging: 5MG
Price: $503.47
Updated: 2021/12/16

Chemenu

Product number: CM132326
Product name: ethyl3-(3,4-dichlorophenyl)-3-oxopropanoate
Purity: 95+%
Packaging: 5g
Price: $1122
Updated: 2021/12/16

Alichem

Product number: 53090430
Product name: Ethyl3-(3,4-dichlorophenyl)-3-oxopropanoate
Packaging: 5g
Price: $1248
Updated: 2021/12/16

Acrotein

Product number: OP-0138
Product name: Ethyl3-(3,4-dichlorophenyl)-3-oxopropanoate
Purity: 97%
Packaging: 0.5g
Price: $91.67
Updated: 2021/12/16

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3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Chemical Properties,Usage,Production

Uses

Ethyl 3-(3,4-dichlorophenyl)-3-oxopropionate is an organic intermediate, which has been reported in the literature to prepare α-ketoamides and their derivatives.

Preparation

React with 3,4-dichlorobenzaldehyde, ethyl diazoacetate and ter-BuOK, and then directly separate the resulting mixture by silica gel flash column chromatography to obtain Ethyl 3-(3,4-dichlorophenyl)-3-oxopropionate.

Synthesis

51-44-5

6148-64-7

53090-43-0

1. CDI (41.5 g, 290.32 mmol, 3.70 eq.) was added to a solution of 3,4-dichlorobenzoic acid (15 g, 78.53 mmol, 1.00 eq.) in tetrahydrofuran (200 mL) under dry conditions. The reaction mixture was stirred at 25 °C for 4 hours. 2. In another reaction flask, monoethyl malonate potassium salt (37.7 g, 235 mmol, 3.00 eq.) was dissolved in acetonitrile (400 mL), followed by the addition of MgCl2 (33.5 g, 353 mmol, 4.5 eq.) and triethylamine (23.8 g, 235 mmol, 3.00 eq.). 3. The solutions from Steps 1 and 2 were combined and the reaction was stirred at room temperature for 2 hours. 4. Upon completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. 5. The concentrated residue was diluted with 200 mL of water and the pH was adjusted to 5 with 1 M HCl. 6. The aqueous phase was extracted with ethyl acetate (4 x 50 mL), the organic layers were combined and dried with anhydrous magnesium sulfate. 7. After filtering the desiccant, the organic phase was concentrated under reduced pressure. 8. The crude product was purified by silica gel column chromatography using petroleum ether/ethyl acetate (50:1) as eluent. 9. 15 g (73% yield) of ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate was finally obtained as a colorless oil.

References

[1] Patent: WO2014/66795, 2014, A1. Location in patent: Paragraph 0175

3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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