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CAS 134605-66-6

:

1-Carboxy-1-methylethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]benzoate

Description:
1-Carboxy-1-methylethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]benzoate, with CAS number 134605-66-6, is a complex organic compound characterized by its unique structural features. It contains a benzoate moiety, which is a derivative of benzoic acid, and incorporates a chloro substituent that enhances its reactivity. The presence of a pyrimidine ring, specifically a 3,6-dihydro-3-methyl-2,6-dioxo structure, indicates potential biological activity, as pyrimidines are often found in pharmaceuticals and agrochemicals. The trifluoromethyl group contributes to the compound's lipophilicity and may influence its interaction with biological targets. Additionally, the carboxy and methylethyl groups suggest potential for hydrogen bonding and steric effects, which can affect solubility and reactivity. Overall, this compound's intricate structure suggests it may possess interesting chemical properties and potential applications in medicinal chemistry or as a synthetic intermediate.
Formula:C17H14ClF3N2O6
InChI:InChI=1S/C17H14ClF3N2O6/c1-16(2,14(26)27)29-13(25)9-6-8(4-5-10(9)18)23-12(24)7-11(17(19,20)21)22(3)15(23)28/h4-7H,1-3H3,(H,26,27)
InChI key:InChIKey=VXHXJKCQOGHORX-UHFFFAOYSA-N
SMILES:O=C1N(C2=CC(C(OC(C(O)=O)(C)C)=O)=C(Cl)C=C2)C(=O)C=C(C(F)(F)F)N1C
Synonyms:
  • Benzoic acid, 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-, 1-carboxy-1-methylethyl ester
  • 2-Chloro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-3,6-dihydropyrimidin-1(2H)-yl)benzoic acid 1-carboxy-1-methylethyl ester
  • CGA 293731
  • 1-Carboxy-1-methylethyl 2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]benzoate
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Found 2 products.
  • CymitQuimica logo
    Doctor Ehrenstorfer
    + Info

    Butafenacil (free acid)

    CAS:
    Formula:C17H14ClF3N2O6
    Color and Shape:Neat
    Molecular weight:434.75

    Ref: 04-C10860820

    25mg
    239.00€
  • Butafenacil
    Biosynth
    + Info

    Butafenacil

    CAS:
    <p>Butafenacil is a herbicide, which is a chemical formulation sourced from synthetic compounds. It acts by inhibiting protoporphyrinogen oxidase (PPO), an enzyme critical in the biosynthesis of chlorophyll. This inhibition disrupts the photosynthetic process, leading to the accumulation of reactive oxygen species that cause cell membrane damage and ultimately result in plant death.</p>
    Formula:C17H14ClF3N2O6
    Purity:Min. 95%
    Molecular weight:434.7 g/mol

    Ref: 3D-JFA60566

    100mg
    967.00€