CAS 1073339-02-2

2-[3-Iodo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Description:

2-[3-Iodo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a boron-containing organic compound characterized by its unique structural features, including a dioxaborolane ring and a phenyl group substituted with both an iodine atom and a trifluoromethyl group. The presence of the iodine atom enhances its reactivity, making it a potential candidate for various synthetic applications, particularly in organic synthesis and medicinal chemistry. The trifluoromethyl group contributes to the compound's lipophilicity and can influence its biological activity. The dioxaborolane moiety is known for its stability and ability to participate in cross-coupling reactions, which are valuable in the formation of carbon-carbon bonds. This compound may exhibit interesting properties such as fluorescence or specific reactivity patterns due to its electronic structure. Its applications could extend to pharmaceuticals, agrochemicals, or materials science, depending on the functionalization and reactivity of the boron atom. Overall, this compound represents a versatile building block in modern organic chemistry.

Formula: C₁₃H₁₅BF₃IO₂

InChI: InChI=1S/C13H15BF3IO2/c1-11(2)12(3,4)20-14(19-11)9-5-8(13(15,16)17)6-10(18)7-9/h5-7H,1-4H3

InChI key: InChIKey=SOPISWCIQNWDQX-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC(C(F)(F)F)=CC(I)=C2

Synonyms:

• 2-[3-Iodo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 1,3,2-Dioxaborolane, 2-[3-iodo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-