CAS 353270-76-5

6-chloro-4-[2-(2-methylcyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Description:

6-Chloro-4-[2-(2-methylcyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one is a synthetic organic compound characterized by its complex molecular structure, which includes a benzoxazine core, a chloro substituent, and a trifluoromethyl group. The presence of the ethynyl group linked to a 2-methylcyclopropyl moiety contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is likely to exhibit significant lipophilicity due to the trifluoromethyl group, which can enhance its biological activity and influence its pharmacokinetic properties. Additionally, the chloro substituent may affect its electronic properties and reactivity. The compound's structure suggests potential utility in drug development, particularly in targeting specific biological pathways. As with many synthetic compounds, its stability, solubility, and reactivity will depend on the specific conditions under which it is handled. Safety data and handling precautions should be observed, as with any chemical substance, particularly those with halogenated groups.

Formula: C₁₅H₁₁ClF₃NO₂

InChI: InChI=1/C15H11ClF3NO2/c1-8-6-9(8)4-5-14(15(17,18)19)11-7-10(16)2-3-12(11)20-13(21)22-14/h2-3,7-9H,6H2,1H3,(H,20,21)

SMILES: CC1CC1C#CC1(c2cc(ccc2N=C(O)O1)Cl)C(F)(F)F

Methyl Efavirenz (Mixture of Diastereomers)

CAS: 353270-76-5

Formula: C₁₅H₁₁ClF₃NO₂

Color and Shape: White To Off-White Solid

Molecular weight: 329.70

Ref: 4Z-E-0711

rac Methyl Efavirenz (Mixture of Diastereomers)

Controlled Product

CAS: 353270-76-5

Applications Efavirenz (E425000) potential synthetic impurity and degradation product.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Phelan, P., et al.: J. Chromatogr. Sci., 19, 13 (1981), Mangia, A., et al.: Anal. Chim. Acta., 149, 349 (1983), Careri, M., et al.: J. Chromatogr., 647, 79 (1993), van Beek, T., et al.: Phytochem. Anal., 6, 1 (1995),

Formula: C₁₅H₁₁ClF₃NO₂

Color and Shape: Neat

Molecular weight: 329.70

Ref: TR-M303900