CAS 1159826-65-9

1,1-Dimethylethyl 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1-pyrrolidinecarboxylate, with CAS number 1159826-65-9, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a phenoxy group substituted with dinitro and trifluoromethyl groups. This compound is typically classified as an organic ester and may exhibit properties such as moderate to high lipophilicity due to the presence of bulky groups, which can influence its solubility in organic solvents. The dinitro and trifluoromethyl substituents suggest potential applications in agrochemicals or pharmaceuticals, as these functional groups can enhance biological activity or stability. Additionally, the presence of the pyrrolidine moiety may contribute to its reactivity and interaction with biological targets. Safety and handling precautions are essential, as compounds with nitro and trifluoromethyl groups can pose environmental and health risks. Overall, this compound's unique structural features may lead to diverse applications in chemical synthesis and material science.

Formula: C₁₆H₁₈F₃N₃O₇

InChI: InChI=1S/C16H18F3N3O7/c1-15(2,3)29-14(23)20-5-4-10(8-20)28-13-11(21(24)25)6-9(16(17,18)19)7-12(13)22(26)27/h6-7,10H,4-5,8H2,1-3H3

InChI key: InChIKey=DBLXCJSPHCRQFO-UHFFFAOYSA-N

SMILES: O(C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1N(=O)=O)C2CN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1,1-Dimethylethyl 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-, 1,1-dimethylethyl ester