Bromoacetamido-PEG2-Boc-amine
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Basic information
- CAS
182244-33-3- Standard SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CBr- InChIKey
BLSNVTJXXUWHQT-UHFFFAOYSA-N- Molecular formula
- C13H25BrN2O5
- Average molar mass
- 369.25 g/mol
Names & identifiers
- Preferred name
- Bromoacetamido-PEG2-Boc-amine
- IUPAC
- tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
- English name
- Bromoacetamido-PEG2 -Boc-amine
- Molecular formula
- C13H25BrN2O5
- Molecular weight
- 369.25
Names & synonyms
182244-33-3Bromoacetamido-PEG2-Boc-amineBromoacetamido-C2-PEG2-NH-Boctert-butyl (2-(2-(2-(2-bromoacetamido)ethoxy)ethoxy)ethyl)carbamateMFCD28142467Tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate5,8-Dioxa-2,11-diazatridecanoic acid, 13-bromo-12-oxo-,1,1-dimethylethyl esterTERT-BUTYL N-(2-{2-[2-(2-BROMOACETAMIDO)ETHOXY]ETHOXY}ETHYL)CARBAMATEBromoacetamido-PEG2-NH-BocC13H25BrN2O5orb1909444Bromoacetamido-PEG2 -Boc-amine
Show more names
BrCH2CONH-PEG2-NHBocBromoacetamido-PEG3-t-Boc-N-AmideN-[2-[2-[2-(Boc-amino)ethoxy]ethoxy]ethyl]-2-bromoacetamide5,8-Dioxa-2,11-diazatridecanoic acid, 13-bromo-12-oxo-, 1,1-dimethylethyl ester
SCHEMBL12013554BLSNVTJXXUWHQT-UHFFFAOYSA-NAKOS040741476BP-22338BS-44893SY385916DB-114309HY-141199
Database identifiers
- CAS
182244-33-3
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 506.5 · 506.5±50.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Solid
- pka
- 12.23 · 12.23±0.46(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionBromoacetamido-PEG2-Boc-amine is a PEG linker containing a Boc protected amine and a bromide group. The protected amine can be deprotected under mild acidic conditions. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The hydrophilic PEG spacer increases solubility in aqueous media.
UsesBromoacetamido-C2-PEG2-NH-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
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Compound notes
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