Cas no 94695-50-8 (2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester)

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester structure
94695-50-8 structure
Product Name:2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester
CAS No:94695-50-8
MF:C11H8F4O3
MW:264.173037528992
MDL:MFCD00523020
CID:61742
PubChem ID:600916
Update Time:2024-10-25

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • ETHYL 2,3,4,5-TETRAFLUOROBENZOYL ACETATE
    • 2,3,4,5-Tetrafluorobenzoyl acetic acid, ethyl ester
    • Methyl (2,3,4,5-Tetrafluoro-Benzoyl)Acetate
    • 3-oxo-3-(2,3,4,5-tetrafluoro-phenyl)-propionic acid ethyl ester
    • (2,3,4,5-Tetrafluorobenzoyl)Acetic Acid Ethyl Ester
    • Ethyl (2,3,4,5-Tetrafluorobenzoyl)acetate
    • 2,3,4,5-Tetrafluorob
    • ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate
    • Ethyl 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionate
    • 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic Acid Ethyl Ester
    • Ethyl2,3,4,5-tetrafluoro-b-oxobenzenepropanoate
    • Ethyl 2,3,4,5-tetrafluoro-b-oxobenzenepropionate
    • Ethyl 2-(2,3,4,5-tetrafluorobenzoyl)acetate
    • Ethyl a-(2,3,4,5-tetrafluorobenzoyl)acetate
    • Ethyl2,3,4,5-tetrafluorobenzoylacetate
    • Ethyl 2,3,4,5-tetrafluorobenzoylacetate
    • ethyl 3-(2,3,4,5-tetrafluorophenyl)-3-oxopropanoate
    • KWDVJYLIAJHEOW-UHFFFAOYSA-N
    • ethyl 2,3,4,5-tetrafluoro-beta-oxobenzenepropanoate
    • 2,3,4,5-tetrafluorobenzoylacetic acid, ethyl ester
    • PubChem2689
    • Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropanoate (ACI)
    • Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropionate
    • Ethyl α-(2,3,4,5-tetrafluorobenzoyl)acetate
    • AG-690/36545036
    • DTXSID70344983
    • E0759
    • EN300-1725192
    • Ethyl (2345-Tetrafluorobenzoyl)acetate
    • 2,3,4,5-tetrafluoro-beta-oxo-benzeneproprionic acid, ethyl ester
    • Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoate
    • EC 700-167-6
    • ethyl 2,3,4,5-tetrafluorobenzoyl-acetate
    • SCHEMBL1185918
    • 2-(2,3,4,5-tetrafluorobenzoyl)acetic acid, ethyl ester
    • 2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester
    • Ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate #
    • DB-057522
    • ethyl alpha-(2,3,4,5-tetrafluorobenzoyl)acetate
    • C11H8F4O3
    • 2,3,4,5-tetrafluoro-beta-oxo-benzenepropanoic acid, ethyl ester
    • 2,3,4,5-tetrafluorobeta-oxo-benzenepropanoic acid, ethyl ester
    • NS00009908
    • AC-7594
    • SY057196
    • MFCD00523020
    • BCP13423
    • 94695-50-8
    • 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic acid, ethyl ester
    • 2,3,4,5-tetrafluoro-beta-oxobenzenepropanoic acid, ethyl ester
    • ethyl-(2',3',4',5'-tetrafluorobenzoyl)-ethanoate
    • AKOS015838707
    • AS-33243
    • MDL： MFCD00523020
    • Inchi： 1S/C11H8F4O3/c1-2-18-8(17)4-7(16)5-3-6(12)10(14)11(15)9(5)13/h3H,2,4H2,1H3
    • InChI Key： KWDVJYLIAJHEOW-UHFFFAOYSA-N
    • SMILES： O=C(CC(C1C(F)=C(F)C(F)=C(F)C=1)=O)OCC

Computed Properties

  • Exact Mass: 264.04100
  • Monoisotopic Mass: 264.04095676g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 323
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.4
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.384
  • Melting Point: 41-44 oC
  • Boiling Point: 100°C/0.1mmHg(lit.)
  • Flash Point: 123℃
  • Refractive Index: 1.456
  • PSA: 43.37000
  • LogP: 2.37890
  • Solubility: Not determined

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Security Information

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Customs Data

  • HS CODE：2918300090
  • Customs Data：

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  3 h, reflux
1.2 Reagents: Magnesium Solvents: Carbon tetrachloride ,  Ethanol ,  Toluene ;  rt → reflux; 1 h, reflux; 1.5 h, 60 °C; 60 °C → 5 °C
1.3 Solvents: Toluene ;  40 min, 0 - 5 °C; 1 h, 0 °C
1.4 Reagents: Hydrochloric acid Solvents: Water
1.5 Catalysts: p-Toluenesulfonic acid Solvents: Water ;  4 h, reflux; reflux → rt
Reference
Synthesis, structure and antibacterial activity of 4,4'-(methylene)bis[1,2-dihydro-2-phenyl-53-(2,3,4,5-tetrafluorophenyl)-3-pyrazolone]
Zhang, Ji-yun; Liu, Nian-li; Wang, Zhi-feng; Yu, Fei; Tian, Lai-jin, Qufu Shifan Daxue Xuebao, 2010, 36(3), 83-87

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine ,  Magnesium chloride Solvents: Dichloromethane ;  0.5 h, 0 °C; 15 h, 0 °C → 20 °C
Reference
Process for preparation of ethyl 2-(2,3,4,5-tetrafluorobenzoyl)acetate
, China, , ,

Production Method 3

Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Water ;  5 h, reflux
Reference
Preparation of uracils and related compounds as antibacterials that inhibit bacterial DNA polymerase IIIC and type II bacterial topoisomerase.
, United States, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine ,  Magnesium chloride Solvents: Acetonitrile ;  2.5 h, 10 - 15 °C
1.2 Solvents: Acetonitrile ;  15 min, 0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Toluene ,  Water ;  < 25 °C
Reference
Preparation of fused pyridone hydrazides as anticancer drugs.
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine ,  Magnesium chloride Solvents: Acetonitrile ;  2.5 h, 10 - 15 °C
1.2 Reagents: Triethylamine Solvents: Acetonitrile ;  15 min, 0 °C; 0 °C; 0 °C → rt; 16 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Toluene ,  Water ;  < 25 °C
Reference
Preparation of substituted quinobenzoxazine analogs as antitumor agents
, United States, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Triethylamine ,  Magnesium chloride Solvents: Ethyl acetate
Reference
Synthesis of ethyl (2,3,4,5-tetrafluorobenzoyl)acetate
Wang, Bin; Liang, Yanyu; Wang, Xunqiu, Huaxue Shiji, 2001, 23(6), 372-373

Production Method 7

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
1.2 -
Reference
1-Substituted 7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids. New quantitative structure activity relationships at N1 for the quinolone antibacterials
Domagala, John M.; Heifetz, Carl L.; Hutt, Marland P.; Mich, Thomas F.; Nichols, Jeffry B.; et al, Journal of Medicinal Chemistry, 1988, 31(5), 991-1001

Production Method 8

Reaction Conditions
1.1 Reagents: Water ;  10 h, 150 °C
Reference
Improved method for preparation of 2,3,4,5-tetrafluorobenzoylacetic acid ethyl ester
, China, , ,

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Raw materials

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Preparation Products

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:94695-50-8)2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester
Order Number:A845043
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:04
Price ($):384.0
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:94695-50-8)Ethyl 2,3,4,5-tetrafluorobenzoyl acetate
Order Number:sfd4749
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester Related Literature

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Amadis Chemical Company Limited
(CAS:94695-50-8)2,3,4,5-Tetrafluorobenzoylacetic Acid Ethyl Ester
A845043
Purity:99%
Quantity:500g
Price ($):384.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:94695-50-8)Ethyl 2,3,4,5-tetrafluorobenzoyl acetate
sfd4749
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email