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2086688-99-3

2086688-99-3 Structure

2086688-99-3 Structure
IdentificationBack Directory
[Name]

Acid-PEG2-t-butyl ester
[CAS]

2086688-99-3
[Synonyms]

COOH-PEG2-OtBu
Acid-PEG2-C2-Boc
t-butyl ester-PEG1-acid
Acid-PEG2-t-butyl ester
3-(2-(3-(tert-Butoxy)-3-oxopropoxy)ethoxy)propanoic acid
3-[2-(2-Carboxyethoxy)ethoxy]propanoic acid tert-butyl ester
Propanoic acid, 3-[2-(2-carboxyethoxy)ethoxy]-, 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C12H22O6
[MDL Number]

MFCD30723272
[MOL File]

2086688-99-3.mol
[Molecular Weight]

262.3
Chemical PropertiesBack Directory
[Boiling point ]

384.3±27.0 °C(Predicted)
[density ]

1.104±0.06 g/cm3(Predicted)
[solubility ]

Soluble in Water, DMSO, DMF
[form ]

Liquid
[pka]

4.27±0.10(Predicted)
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C12H22O6/c1-12(2,3)18-11(15)5-7-17-9-8-16-6-4-10(13)14/h4-9H2,1-3H3,(H,13,14)
[InChIKey]

FVMOAKLTZMCDOV-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)CCOCCOCCC(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Description]

Acid-PEG2-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-PEG2-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-PEG2-t-butyl ester(2086688-99-3)1HNMR
Acid-PEG2-t-butyl ester(2086688-99-3)13CNMR
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