ChemicalBook--->CAS DataBase List--->1393330-36-3

1393330-36-3

1393330-36-3 Structure

1393330-36-3 Structure
IdentificationBack Directory
[Name]

Bromo-PEG1-t-butyl ester
[CAS]

1393330-36-3
[Synonyms]

1393330-36-3
CAS_1393330-36-3
Bromo-PEG1-C2-Boc
Br-PEG1-CH2CH2COOtBu
Bromo-PEG1-t-butyl ester
tert-Butyl 3-(2-bromoethoxy)propanoate
Propanoic acid, 3-(2-bromoethoxy)-, 1,1-dimethylethyl ester
[Molecular Formula]

C9H17BrO3
[MDL Number]

MFCD22574803
[MOL File]

1393330-36-3.mol
[Molecular Weight]

253.13
Chemical PropertiesBack Directory
[Boiling point ]

285.0±15.0 °C(Predicted)
[density ]

1.264±0.06 g/cm3(Predicted)
[solubility ]

Soluble in DCM, Hexane
[form ]

Liquid
[color ]

Colorless to light yellow
[InChI]

InChI=1S/C9H17BrO3/c1-9(2,3)13-8(11)4-6-12-7-5-10/h4-7H2,1-3H3
[InChIKey]

KRGOEVTUVNSLIG-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

Bromo-PEG1-t-butyl ester is a PEG linker containing a bromide group and a t-butyl protected carboxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The t-butyl protected carboxyl group can be deprotected under acidic conditions.
[Uses]

Bromo-PEG1-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]

Br-PEG1-COOtBu(1393330-36-3)1HNMR
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