ChemicalBook > CAS DataBase List > Ethyl 2,4,5-trifluorobenzoylacetate

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

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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