FID for publication (raw NMR data) and MNova Processed Spectra for Shi & Lee Hemiketals at OL
Year: 2026
Type: dataset
Abstract: In Situ Formation of CF₃-Hemiketal HDDA Substrates Enables Ambient-Temperature, Three-Component, Benzyne Cascade ReactionsABSTRACT: We describe here the three-component reaction of propargylic diynes (or monoynes), trifluoromethyl ketone diynes, and trapping agents under mild reaction conditions. The electron-withdrawing character of the trifluoromethyl ketone enables spontaneous, catalyst-free formation of tetraynes (or triynes), substrates for in situ cycloisomerization to benzynes at room temperature. These are captured by a variety of trapping agents to complete the cascade reaction in a single operation. Notably, the terminal TIPS group, originally installed to direct regioselective benzyne formation, can also serve as a handle to append other building blocks onto the resulting benzenoid products, enabling access to more complex architectures.
Source: Figshare
Authors: Thomas Hoye, Sangjun Lee, jingyang shi
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7224816053