3-Butynyl 2-bromoisobutyrate
Product Information
Molecular Formula
C8H11BrO2
Molecular Weight
219.08
Description
Atom Transfer Radical Polymerization (ATRP) initiator with alkyne functionality. Alkyne can be useful in coupling reactions/ligation.
Synonyms
Alkyl BiBB,Clickable ATRP initiator
IUPAC Name
but-3-ynyl 2-bromo-2-methylpropanoate
SMILES
CC(C)(C(=O)OCCC#C)Br
InChI
InChI=1S/C8H11BrO2/c1-4-5-6-11-7(10)8(2,3)9/h1H,5-6H2,2-3H3
InChI Key
MOHWQOXHTWRDGD-UHFFFAOYSA-N
Boiling Point
162-164 °C(lit.)
Flash Point
208.4 °F
Purity
97% (GC)
Density
1.295 g/mL at 25 °C
Appearance
powder
Storage
2-8°C
Refractive Index
n20/D 1.470
Safety Information
Hazards
H302
Computed Properties
XLogP3
2.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
217.99424 g/mol
Monoisotopic Mass
217.99424 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
188
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-3916029-A1 | Novel methacrylate copolymer and compositions comprising it | 2020-05-28 |
| WO-2021239787-A1 | Novel methacrylate copolymer and compositions comprising it | 2020-05-28 |
| CN-108911654-B | Modified graphene oxide concrete crack repairing material and preparation method thereof | 2018-08-15 |
| EP-3495040-A1 | Porous materials, method for producing same and uses thereof | 2017-12-08 |
| WO-2019110318-A1 | Porous materials, method for producing same and uses thereof | 2017-12-08 |
| WO-2018209293-A2 | Nanoscale multiple emulsions and nanoparticles | 2017-05-11 |
| US-2020385503-A1 | Nanoscale multiple emulsions and nanoparticles | 2017-05-11 |
| US-11254773-B2 | Nanoscale multiple emulsions and nanoparticles | 2017-05-11 |
| US-10211400-B2 | Photopatterned growth of electronically active brush polymers for light emitting diode displays | 2017-03-31 |
| US-10228619-B2 | Photopatterned growth of electronically active brush polymers for light emitting diode displays | 2017-03-31 |
