CAS 1803586-70-0

1,1-Dimethylethyl 3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-4-morpholinecarboxylate

Description:

1,1-Dimethylethyl 3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-4-morpholinecarboxylate is a chemical compound characterized by its complex structure, which includes a morpholine ring and a triazole moiety. This compound features a trifluoroethyl group, contributing to its unique properties, such as increased lipophilicity and potential biological activity. The presence of the dimethyl group enhances steric hindrance, which may influence its interaction with biological targets. Typically, compounds of this nature are investigated for their potential applications in pharmaceuticals, particularly as agrochemicals or in medicinal chemistry, due to their ability to modulate biological pathways. The morpholine component often imparts favorable solubility characteristics, while the triazole ring can participate in hydrogen bonding and coordination with metal ions. Overall, this compound exemplifies the intricate design often found in synthetic organic chemistry, where specific functional groups are strategically incorporated to achieve desired chemical and biological properties.

Formula: C₁₃H₁₉F₃N₄O₃

InChI: InChI=1S/C13H19F3N4O3/c1-12(2,3)23-11(21)20-4-5-22-6-9(20)10-17-8-19(18-10)7-13(14,15)16/h8-9H,4-7H2,1-3H3

InChI key: InChIKey=VCEXITZLWYSKAE-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(COCC1)C2=NN(CC(F)(F)F)C=N2

Synonyms:

• 4-Morpholinecarboxylic acid, 3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-4-morpholinecarboxylate

tert-Butyl 3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]morpholine-4-carboxylate

CAS: 1803586-70-0

Versatile small molecule scaffold

Formula: C₁₃H₁₉F₃N₄O₃

Purity: Min. 95%

Molecular weight: 336.31 g/mol

Ref: 3D-DXC58670