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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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