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ChemicalBook--->CAS DataBase List--->1309460-29-4

1309460-29-4

1309460-29-4 Structure

1309460-29-4 Structure
IdentificationBack Directory
[Name]

Acid-PEG5-t-butyl ester
[CAS]

1309460-29-4
[Synonyms]

COOH-PEG5-OtBu
COOH-PEG5-COOtBu
Acid-PEG5-C2-Boc
Acid-PEG5-t-butyl ester
HOOCCH2CH2O-PEG4-CH2CH2COOtBu
4,7,10,13,16-Pentaoxanonadecanedioic acid, 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C18H34O9
[MDL Number]

MFCD18916989
[MOL File]

1309460-29-4.mol
[Molecular Weight]

394.46
Chemical PropertiesBack Directory
[Boiling point ]

495.2±45.0 °C(Predicted)
[density ]

1.109±0.06 g/cm3(Predicted)
[solubility ]

Soluble in Water, DMSO, DCM, DMF
[form ]

Liquid
[pka]

4.28±0.10(Predicted)
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C18H34O9/c1-18(2,3)27-17(21)5-7-23-9-11-25-13-15-26-14-12-24-10-8-22-6-4-16(19)20/h4-15H2,1-3H3,(H,19,20)
[InChIKey]

ILIIUHKWCBCCNI-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)CCOCCOCCOCCOCCOCCC(O)=O
Hazard InformationBack Directory
[Description]

Acid-PEG5-t-butyl ester is a PEG linker containing a t-butyl protected carboxyl group with a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The hydrophilic PEG spacer increases solubility in aqueous media. The t-butyl protected carboxyl group can be deprotected under acidic conditions.
[Uses]

Acid-PEG5-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[IC 50]

PEGs; Alkyl/ether
[References]

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562 DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

Acid-PEG5-t-butyl ester(1309460-29-4)1HNMR
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