
Propargyl-PEG7-t-butyl ester | CAS 1818294-29-9
| Catalog Number | R01-0171 |
| Category | Alkynes |
| Molecular Formula | C22H40O9 |
| Molecular Weight | 448.55 |
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Product Introduction
Propargyl-PEG7-Boc is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG7-Boc can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Application
Computed Properties
Chemical Information
| Synonyms | Propargyl-PEG7-Boc; Propargyl-PEG7-COOtBu; Propargyl-PEG6-CH2COOtBu; Propargyl-PEG6-CH2CH2COOtBu; 4,7,10,13,16,19,22-Heptaoxapentacos-24-ynoic acid, 1,1-dimethylethyl ester; Propargyl-PEG7-tBu ester; 2-Methyl-2-propanyl 4,7,10,13,16,19,22-heptaoxapentacos-24-yn-1-oate |
| Purity | >95% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCC#C |
| InChI | InChI=1S/C22H40O9/c1-5-7-24-9-11-26-13-15-28-17-19-30-20-18-29-16-14-27-12-10-25-8-6-21(23)31-22(2,3)4/h1H,6-20H2,2-4H3 |
| InChIKey | ZYHHJKFUMHBJSI-UHFFFAOYSA-N |
| Solubility | Soluble in DCM, DMF, DMSO |
| Density | 1.059±0.06 g/cm3 (Predicted) |
| Appearance | Pale Yellow or Colorless Oily Liquid |
| Boiling Point | 494.3±40.0°C (Predicted) |
Product Specification
| Storage | Store at 2-8°C |
Application
Propargyl-PEG7-t-butyl ester is a PEG-based alkyne-bearing click chemistry reagent designed for copper-free and copper-catalyzed azide–alkyne cycloaddition workflows. Its structure combines a terminal propargyl group for bioorthogonal ligation with a flexible PEG7 spacer that improves solubility and reduces nonspecific interactions, while the t-butyl ester provides a protected carboxyl functionality for downstream conjugation or controlled deprotection strategies. This reagent is commonly used in chemical biology and biomaterials research to install clickable handles onto surfaces, polymers, and biomolecule conjugates prior to linkage with azide-functional partners.
1. Biomolecule Conjugation
Propargyl-PEG7-t-butyl ester is used to introduce a defined alkyne handle onto biomolecule-derived materials and macromolecular conjugates, enabling subsequent azide–alkyne coupling with azide-bearing probes, affinity tags, or carrier scaffolds. The PEG7 spacer supports aqueous compatibility and helps maintain accessibility of the clickable terminus, which is particularly valuable when conjugates are used in complex buffer conditions or as part of multi-component labeling schemes. Researchers often select this reagent when they need a stable, handle-bearing intermediate that can be incorporated during bioconjugation workflows and then coupled to azide-functional partners to generate uniform, modular products.
2. Surface And Polymer Functionalization
Propargyl-PEG7-t-butyl ester serves as a practical building block for functionalizing polymer backbones, hydrogel components, and material surfaces with alkyne groups for later click attachment of dyes, polymers, or biomolecular ligands. The PEG7 chain improves wetting and reduces aggregation on hydrophilic substrates, supporting reproducible grafting and consistent downstream coupling. In materials development, the t-butyl ester motif is frequently leveraged as a protected functional group that can be converted or utilized during assembly steps, allowing researchers to prepare clickable surfaces and then perform orthogonal or sequential conjugations with azide-functional reagents.
3. Molecular Imaging Probe Assembly
Propargyl-PEG7-t-butyl ester is widely used in the assembly of molecular imaging and detection reagents where an alkyne handle is required to couple imaging moieties or affinity elements bearing azide groups. The combination of a terminal propargyl group and a PEG7 linker supports the construction of probe conjugates with improved solubility and reduced nonspecific adsorption, which is important for consistent labeling in analytical workflows. Teams in chemical biology and diagnostic reagent development commonly employ this reagent as an intermediate to generate modular probe platforms that can be rapidly diversified by swapping azide-functional components.
4. Diagnostic Reagent Labeling
Propargyl-PEG7-t-butyl ester is used to label and functionalize diagnostic-reagent components that require clickable attachment points, including reagent conjugates, assay-building blocks, and detection-system intermediates. The PEG7 spacer helps maintain reagent compatibility across aqueous assay buffers and can reduce background interactions when conjugates are immobilized or mixed with complex sample matrices. By providing a reliable alkyne functionality, this reagent enables straightforward coupling to azide-functional reporters or capture elements, supporting efficient construction of assay reagents with consistent chemical connectivity.
Computed Properties
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 24 |
| Exact Mass | 448.26723285 g/mol |
| Monoisotopic Mass | 448.26723285 g/mol |
| Topological Polar Surface Area | 90.9Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 454 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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