Ald-PEG5-t-butyl ester
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Basic information
- CAS
1433996-83-8- Standard SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOc1ccc(C=O)cc1- InChIKey
QVWIJQYADDDNJZ-UHFFFAOYSA-N- Molecular formula
- C22H34O8
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- Ald-PEG5-t-butyl ester
- IUPAC
- tert-butyl 3-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
- English name
- Ald-Ph-PEG5-t-butyl ester
- Molecular formula
- C22H34O8
- Molecular weight
- 426.5
Names & synonyms
Ald-PEG5-t-butyl ester1433996-83-8Ald-Ph-PEG5-BocAld-Phenyl-PEG5-t-butyl esterDF-PEG5-CH2CH2COOtButert-butyl 3-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoateMFCD24539463tert-butyl 1-(4-formylphenoxy)-3,6,9,12-tetraoxapentadecan-15-oateAld-Ph-PEG5-t-butyl esterAld-Ph-PEG5-CH2CH2COOtBuAld-PEG5-t-butylesterorb1988808
Show more names
4,7,10,13-Tetraoxapentadecanoic acid, 15-(4-formylphenoxy)-, 1,1-dimethylethyl ester
C22H34O8IHC99683AKOS040742890BP-21685DA-70687HY-140629CS-0114839G92600
Database identifiers
- CAS
1433996-83-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 521.3 · 521.3±50.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionAld-Ph-PEG5-t-butyl ester is a pEG reagent with a benzaldehyde group that is reactive with aminooxy (NH2O) containing molecules, The t-butyl ester is an acid labile protecting group.
UsesAld-Ph-PEG5-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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