Ethyl 2,4,5-trifluorobenzoylacetate

Product Name: Ethyl 2,4,5-trifluorobenzoylacetate
CAS No.: 98349-24-7
Chemical Name: Ethyl 2,4,5-trifluorobenzoylacetate
Synonyms: Sitafloxacin Impurity 39;2,4,5-Triflurobenzoflacetate;ethyl 2,4,5-trifluorobenzoylacetat;ETHYL 3-OXO-3(2,4,5-TRIFLUOROPHENY;Ethyl 2,4,5-Triflurobenzoflacetate;ETHYL 2,4,5-TRIFLUOROBENZOYLACETATE;2,4,5-trifluorobenzoyl ethyl acetate;Butyric 2,4,5-trifluorobenzoic anhydride;Ethyl 2,4,5-Trifluoro-β-oxobenzenepropanoate;3-oxo-3-(2,4,5-trifluorophenyl)propanoic acid
CBNumber: CB4351926
Molecular Formula: C11H9F3O3
Formula Weight: 246.18
MOL File: 98349-24-7.mol

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Ethyl 2,4,5-trifluorobenzoylacetate Property

Melting point:: 66-68°C
Boiling point:: 92 °C(Press: 0.08 Torr)
Density: 1.319±0.06 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Toluene
form: powder to crystal
pka: 10.26±0.50(Predicted)
color: White to Almost white
InChI: InChI=1S/C11H9F3O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-4H,2,5H2,1H3
InChIKey: OTCJYVJORKMTHX-UHFFFAOYSA-N
SMILES: C1(C(=O)CC(=O)OCC)C=C(C(F)=CC=1F)F
CAS DataBase Reference: 98349-24-7(CAS DataBase Reference)

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Safety

Hazard Codes: C,Xi,T
Risk Statements: 36/37/38
Safety Statements: 26-36/37/39
RIDADR: UN2811 6.1
HazardClass: IRRITANT
HS Code: 2918300090

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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

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

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

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N-Bromosuccinimide Price

TCI Chemical

Product number: E1425
Product name: Ethyl (2,4,5-Trifluorobenzoyl)acetate
Packaging: 1G
Price: $26
Updated: 2025/07/31

TCI Chemical

Product number: E1425
Product name: Ethyl (2,4,5-Trifluorobenzoyl)acetate
Packaging: 5G
Price: $101
Updated: 2025/07/31

TRC

Product number: E930460
Product name: Ethyl2,4,5-Trifluoro-β-oxobenzenepropanoate
Packaging: 10g
Price: $110
Updated: 2021/12/16

ChemScene

Product number: CS-0033524
Product name: Ethyl (2,4,5-Trifluorobenzoyl)acetate
Purity: >97.0%
Packaging: 25g
Price: $119
Updated: 2021/12/16

SynQuest Laboratories

Product number: 2629-3-Z0
Product name: Ethyl 2,4,5-trifluorobenzoylacetate
Packaging: 5G
Price: $66
Updated: 2021/12/16

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Ethyl 2,4,5-trifluorobenzoylacetate Chemical Properties,Usage,Production

Chemical Properties

off-white crystall powder

Uses

Ethyl 2,4,5-Trifluoro-β-oxobenzenepropanoate can be used to prepare aminopyrrolidinyl)quinolinecarboxylates with antitumor activities.

Synthesis

1071-46-1

88419-56-1

98349-24-7

Step 2. Synthesis of ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propionate (B). Referring to the literature method [Wierenga, W.; Skulnick, H. I. J. Org. Chem. 1979, 44, 310-311], a mixture of monoethyl malonate (0.18 mL, 1.50 mmol) with bipyridine (1 crystal) was dissolved in tetrahydrofuran (THF, 10 mL) and cooled to -75 °C under argon protection . At -75 °C, n-butyllithium (n-BuLi, 2.8 mL, 4.48 mmol, 5.9 eq.) was slowly added. The reaction mixture was warmed to -50 °C and held for about 2 minutes until the pink color no longer faded (to ensure that the amount of n-butyllithium was sufficient to form a divalent anion), and then cooled to -75 °C again. Subsequently, a THF solution (2-3 mL) of 2,4,5-trifluorobenzoyl chloride (0.75 mmol) was slowly added. The reaction mixture was gradually warmed to room temperature, diluted with ethyl acetate (50 mL) and acidified with 1N hydrochloric acid under stirring. The organic phase was washed sequentially with 5% sodium bicarbonate solution (30 mL x 2) and saturated saline (50 mL x 2), dried with anhydrous sodium sulfate and concentrated. The oil obtained was purified by silica gel column chromatography (40 g silica gel column, 20% ethyl acetate in hexane solution, 40 min gradient) to give 185 mg (89% yield) of target product B as a white solid.

References

[1] Journal of Medicinal Chemistry, 1999, vol. 42, # 19, p. 3899 - 3909
[2] Patent: WO2008/36420, 2008, A2. Location in patent: Page/Page column 45-46
[3] Journal of Medicinal Chemistry, 1991, vol. 34, # 1, p. 168 - 174

Ethyl 2,4,5-trifluorobenzoylacetate Preparation Products And Raw materials

Raw materials

Preparation Products

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Ethyl 2,4,5-trifluorobenzoylacetate Suppliers

Americas 1 Canada 1 China 205 Europe 1 Germany 1 India 6 Japan 1 United Kingdom 8 United States 16 Global 240

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View Lastest Price from Ethyl 2,4,5-trifluorobenzoylacetate manufacturers

Hebei Fengjia New Material Co., Ltd

Product: Ethyl 2,4,5-trifluorobenzoylacetate 98349-24-7
Price: US $30.00/kg
Min. Order: 1kg
Purity: 0.99
Supply Ability: 100 tons
Release date: 2024-08-08

Hebei Chuanghai Biotechnology Co., Ltd

Product: Ethyl 2,4,5-trifluorobenzoylacetate 98349-24-7
Price: US $30.00-10.00/KG
Min. Order: 50KG
Purity: 99%
Supply Ability: 500000kg
Release date: 2024-10-24

Henan Aochuang Chemical Co.,Ltd.

Product: Ethyl 2,4,5-trifluorobenzoylacetate 98349-24-7
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-26

98349-24-7, Ethyl 2,4,5-trifluorobenzoylacetateRelated Search:

Ethyl isobutyrylacetate PHENOXYACETIC ACID Ethyl acetate Ethylparaben CHLOROETHANE acetic acid, triethoxy-, ethyl ester Ethyl propionylacetate Ethyl malonyl chloride Ethylbenzene Ethyl butyrylacetate Ethyl methoxyacetate Ethyl benzoylacetate Ethanol Ethyl acrylate Ethyl formate Ethyl cellulose Ethyl trifluoroacetate ETHYL 3-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)-3-OXOPROPANOATE

3-OXO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER

ETHYL 3-(2,4,5-TRIFLUOROPHENYL)-3-OXOPROPANOATE

ETHYL 3-OXO-3-(2,4,5-TRIFLUOROPHENYL)PROPANOATE

ETHYL 2,4,5-TRIFLUOROBENZOYLACETATE

2,4,5-Triflurobenzoflacetate

ETHYL 3-OXO-3(2,4,5-TRIFLUOROPHENYL) PROPIONATE

Ethyl (2,4,5-trifluorobenzoyl)acetate, Ethyl 2-(2,4,5-trifluorobenzoyl)ethanoate

ethyl 2,4,5-trifluorobenzoylacetat

3-oxo-3-(2,4,5-trifluorophenyl)propanoic acid

ETHYL 3-OXO-3(2,4,5-TRIFLUOROPHENY

Sitafloxacin Impurity 39

Benzenepropanoic acid, 2,4,5-trifluoro-β-oxo-, ethyl ester

(2,4,5-Trifluorobenzoyl)acetic Acid Ethyl Ester

3-Oxo-3-(2,4,5-trifluorophenyl)propanoic Acid Ethyl Ester

Ethyl 2,4,5-Trifluoro-β-oxobenzenepropanoate

Ethyl 2,4,5-trifluorobenzoylacetate 98349-24-7

Butyric 2,4,5-trifluorobenzoic anhydride

2,4,5-trifluoro-b-oxobenzenepropanoic acid ethylester >98%

Ethyl 2,4,5-Triflurobenzoflacetate

2,4,5-trifluorobenzoyl ethyl acetate

98349-24-7

C11H9O3F3

Phenyls & Phenyl-Het

Benzoic acid

Phenyls & Phenyl-Het