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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- E1425
- Product name
- Ethyl (2,4,5-Trifluorobenzoyl)acetate
- Packaging
- 1G
- Price
- $26
- Updated
- 2025/07/31
- Product number
- E1425
- Product name
- Ethyl (2,4,5-Trifluorobenzoyl)acetate
- Packaging
- 5G
- Price
- $101
- Updated
- 2025/07/31
- Product number
- E930460
- Product name
- Ethyl2,4,5-Trifluoro-β-oxobenzenepropanoate
- Packaging
- 10g
- Price
- $110
- Updated
- 2021/12/16
- Product number
- CS-0033524
- Product name
- Ethyl (2,4,5-Trifluorobenzoyl)acetate
- Purity
- >97.0%
- Packaging
- 25g
- Price
- $119
- Updated
- 2021/12/16
- Product number
- 2629-3-Z0
- Product name
- Ethyl 2,4,5-trifluorobenzoylacetate
- Packaging
- 5G
- Price
- $66
- Updated
- 2021/12/16
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
Ethyl 2,4,5-trifluorobenzoylacetate Suppliers
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View Lastest Price from Ethyl 2,4,5-trifluorobenzoylacetate manufacturers
- 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
- 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
- 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