Cas no 83643-84-9 (Methyl 4,4,4-trifluoroacetoacetate)

Methyl 4,4,4-trifluoroacetoacetate structure
83643-84-9 structure
Product Name:Methyl 4,4,4-trifluoroacetoacetate
CAS No:83643-84-9
MF:C5H5F3O3
MW:170.086612462997
MDL:MFCD00041004
CID:90850
PubChem ID:87577021
Update Time:2024-10-26

Methyl 4,4,4-trifluoroacetoacetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4,4,4-Trifluoroacetoacetate
    • Trifluoroacetoacetic acid methyl ester
    • Methyl 4,4,4-trifluoro-3-oxobutanoate
    • Methyl trifluoroacetoacetate
    • 4,4,4-Trifluoroacetoacetic Acid Methyl Ester
    • Methyl 4,4,4-trifluoroacetylacetonate
    • LKMUBWWZTSZGGV-UHFFFAOYSA-N
    • Butanoic acid, 4,4,4-trifluoro-3-oxo-, methyl ester
    • Methyl-4,4,4-trifluoro-3-oxobutanoate
    • methyltri-fluoroacetoacetate
    • Methyl4,4,4-Trifluoroacetoacetate
    • methyl-4,4,4-trifluoroacetoacetate
    • SBB088357
    • 03
    • 83643-84-9
    • MS-20307
    • MFCD00041004
    • methyl 4,4,4-trifluoro-3-oxo-butanoate
    • FT-0628596
    • 488711-09-7
    • Methyl4,4,4-trifluoro-3-oxobutanoate
    • CS-0121468
    • 4,4,4-Trifluoro-3-oxo-butyric acid methyl ester
    • SCHEMBL197340
    • SY049952
    • T1245
    • Methyl 3-oxo-4,4,4-trifluorobutyrate
    • AKOS005063950
    • BP-20096
    • A871870
    • Methyl 4,4,4-trifluoroacetoacetate, 95%
    • CHEMBL107187
    • Methyl 4,4,4-trifluoro-3-oxobutanoate #
    • DTXSID001003613
    • A840621
    • D95370
    • BBL101872
    • STL555669
    • DB-075955
    • Methyl 4,4,4-trifluoroacetoacetate
    • MDL： MFCD00041004
    • Inchi： 1S/C5H5F3O3/c1-11-4(10)2-3(9)5(6,7)8/h2H2,1H3
    • InChI Key： LKMUBWWZTSZGGV-UHFFFAOYSA-N
    • SMILES： O=C(CC(C(F)(F)F)=O)OC
    • BRN： 1777343

Computed Properties

  • Exact Mass: 170.01900
  • Monoisotopic Mass: 170.019079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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: 1.1
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.328
  • Boiling Point: 116°C
  • Flash Point: 25 oC
  • Refractive Index: n20/D 1.372
  • PSA: 43.37000
  • LogP: 0.68090
  • Solubility: Not determined

Methyl 4,4,4-trifluoroacetoacetate Security Information

Methyl 4,4,4-trifluoroacetoacetate 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%

Methyl 4,4,4-trifluoroacetoacetate Pricemore >>

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Methyl 4,4,4-trifluoroacetoacetate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Lithium perchlorate Solvents: Toluene ;  6 h, reflux
1.2 Reagents: Triethylamine ,  Dodecylbenzenesulfonyl azide Solvents: Toluene ;  16 h, rt
Reference
The preparation of polymer bound β-ketoesters and their conversion into an array of oxazoles
Clapham, Bruce; et al, Tetrahedron Letters, 2002, 43(31), 5407-5410

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Dichloromethane
Reference
Application of organometallic compounds of Groups V and VI elements in organic syntheses. XXXI. Facile synthesis of β-keto esters and β-diketones via stabilized arsoranes
Ding, Weiyu; et al, Huaxue Xuebao, 1986, 44(3), 261-4

Production Method 3

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Hydrogen sulfide
Reference
Polyfluorinated β-keto esters and their α-halogenated derivatives in the reaction with phosphorus pentasulfide and 2,4-bis(4-methoxyphenyl)-2,4-dithioxo-P(V),P(V)-1,3,2,4-dithiodiphosphetane
Bobrov, M. B.; et al, Izvestiya Akademii Nauk SSSR, 1986, (4), 879-84

Production Method 4

Reaction Conditions
Reference
Conformation of the keto form of fluoroalkyl-containing β-keto esters
Rudaya, M. N.; et al, Izvestiya Akademii Nauk SSSR, 1987, (6), 1412-15

Production Method 5

Reaction Conditions
1.1 Reagents: Triphenylphosphine ,  Hydrogen sulfide
Reference
Polyfluorinated β-keto esters and their α-halogenated derivatives in the reaction with phosphorus pentasulfide and 2,4-bis(4-methoxyphenyl)-2,4-dithioxo-P(V),P(V)-1,3,2,4-dithiodiphosphetane
Bobrov, M. B.; et al, Izvestiya Akademii Nauk SSSR, 1986, (4), 879-84

Production Method 6

Reaction Conditions
1.1 Solvents: Benzene ,  Nitrogen
2.1 Reagents: Hydrochloric acid Solvents: Dichloromethane
Reference
Application of organometallic compounds of Groups V and VI elements in organic syntheses. XXXI. Facile synthesis of β-keto esters and β-diketones via stabilized arsoranes
Ding, Weiyu; et al, Huaxue Xuebao, 1986, 44(3), 261-4

Methyl 4,4,4-trifluoroacetoacetate Raw materials

Methyl 4,4,4-trifluoroacetoacetate Preparation Products

Methyl 4,4,4-trifluoroacetoacetate Related Literature

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