1,1,1-Trifluoro-3,6,9,12,15-pentaoxaoctadec-17-yne
CAS No.: 1817735-37-7
Cat No.: BP-501012
Purity: ≥95%
4.5 
1,1,1-Trifluoro-3,6,9,12,15-pentaoxaoctadec-17-yne is a fluorinated, poly(ethylene glycol)-type linker bearing a terminal alkyne at the ω-position and a trifluoromethylated carbon at the proximal end, with five ether oxygens distributed along an extended chain. This structural combination provides a chemically stable, flexible spacer that can be used to connect two PROTAC-relevant modules through orthogonal conjugation strategies, such as copper-free or copper-mediated coupling to azide/alkyne or alkyne-reactive warheads, depending on the synthetic handle employed on the partners. In targeted protein degradation constructs, such linkers are used to tune the effective distance and relative orientation between the recruiting ligand and the E3 ligase binder, thereby improving formation of the ternary complex while reducing steric clashes and maintaining solubility. The alkyne functionality also enables modular, late-stage assembly for rapid PROTAC optimization in structure–activity relationship studies.
Structure of 1817735-37-7
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1,1,1-Trifluoro-3,6,9,12,15-pentaoxaoctadec-17-yne, is designed to provide a chemically robust, ether-rich scaffold for PROTAC assembly. Its combination of multiple oxygen atoms and a terminal alkyne enables flexible spatial presentation between binding elements, while the trifluoromethyl group can enhance metabolic stability and modulate polarity. The following sections describe its structure and practical reactivity considerations for constructing targeted protein degraders.
Structure: The molecule contains a long, polyether chain with multiple ether linkages that confer conformational flexibility and hydrogen-bonding capacity. A terminal alkyne provides a defined unsaturation handle for conjugation. The trifluoromethyl substituent introduces strong electron-withdrawing character, influencing local reactivity and polarity.
Reactivity: The alkyne functionality is suitable for common PROTAC linker-conjugation strategies that rely on alkyne reactivity, including copper-catalyzed azide–alkyne cycloaddition and related coupling approaches. Typical conditions use polar organic solvents and require careful control of catalyst loading and oxygen/moisture to maintain selectivity. Mechanistically, the linker participates through formation of a new C–N or C–C bond at the alkyne terminus, enabling modular attachment to complementary partners.
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
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