CAS 73839-25-5

1,1-Dimethylethyl 6-[[(2-bromoethoxy)hydroxyphosphinyl]oxy]hexanoate

Description:

1,1-Dimethylethyl 6-[[(2-bromoethoxy)hydroxyphosphinyl]oxy]hexanoate, with CAS number 73839-25-5, is a chemical compound that belongs to the class of organophosphorus compounds. It features a hexanoate backbone, which is a six-carbon fatty acid ester, and incorporates a phosphinyl group that is modified with a bromoethoxy moiety. This structure suggests potential applications in agricultural chemistry, particularly as a pesticide or herbicide, due to the presence of the phosphorus atom, which is characteristic of many bioactive compounds. The presence of the bromoethoxy group may enhance its reactivity and solubility in organic solvents. Additionally, the dimethyl group contributes to steric hindrance, which can influence the compound's biological activity and interaction with target enzymes or receptors. Overall, this compound's unique structure may confer specific properties that are valuable in various chemical applications, particularly in the field of agrochemicals. However, detailed studies on its toxicity, environmental impact, and efficacy would be necessary to fully understand its characteristics and potential uses.

Formula: C₁₂H₂₄BrO₆P

InChI: InChI=1S/C12H24BrO6P/c1-12(2,3)19-11(14)7-5-4-6-9-17-20(15,16)18-10-8-13/h4-10H2,1-3H3,(H,15,16)

InChI key: InChIKey=GHEJQXFKWXUVRC-UHFFFAOYSA-N

SMILES: O(P(OCCBr)(=O)O)CCCCCC(OC(C)(C)C)=O

Synonyms:

• 1,1-Dimethylethyl 6-[[(2-bromoethoxy)hydroxyphosphinyl]oxy]hexanoate
• Hexanoic acid, 6-[[(2-bromoethoxy)hydroxyphosphinyl]oxy]-, 1,1-dimethylethyl ester