2-Nitro-5-(2-propynyloxy)benzyl 4-cyano-4-(phenylcarbonothioylthio)pentanoate
Product Information
Molecular Formula
C23H20N2O5S2
Molecular Weight
468.55
Description
RAFT agent for controlled radical polymerization; especially suited for the polymerization of methacrylate and methacrylamide monomers. Chain Transfer Agent (CTA) with alkyne functionality for ligation and a photo-sensitive moiety for controlled cleavage.
Synonyms
Clickable CTA,Light-sensitive clickable RAFT agent,RAFT agent
IUPAC Name
(2-nitro-5-prop-2-ynoxyphenyl)methyl 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate
SMILES
CC(CCC(=O)OCC1=C(C=CC(=C1)OCC#C)[N+](=O)[O-])(C#N)SC(=S)C2=CC=CC=C2
InChI
InChI=1S/C23H20N2O5S2/c1-3-13-29-19-9-10-20(25(27)28)18(14-19)15-30-21(26)11-12-23(2,16-24)32-22(31)17-7-5-4-6-8-17/h1,4-10,14H,11-13,15H2,2H3
InChI Key
IOYDTDXAMFFKOA-UHFFFAOYSA-N
Boiling Point
275.2-284.4 °C
Flash Point
>230 °F
Purity
97%
Appearance
liquid
Storage
2-8°C
Refractive Index
n20/D 1.6288
Computed Properties
XLogP3
4.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
11
Exact Mass
468.08136409 g/mol
Monoisotopic Mass
468.08136409 g/mol
Topological Polar Surface Area
163Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
774
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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 |
|---|---|---|
| WO-2020122422-A1 | Acrylic copolymer, preparation method therefor, and acrylic copolymer composition comprising same | 2018-12-13 |
| EP-3750928-A1 | Acrylic copolymer, preparation method therefor, and acrylic copolymer composition comprising same | 2018-12-13 |
| KR-20200073065-A | Acryl based copolymer, method for preparing the same and acryl based copolymer composition comprising the acryl based copolymer | 2018-12-13 |
| US-2021002401-A1 | Acrylic Copolymer, Method of Preparing the Same, and Acrylic Copolymer Composition Including the Same | 2018-12-13 |
| EP-3581929-A1 | Method for quantitatively measuring the concentration of chemicals in aqueous solution | 2018-06-14 |
| US-2019383803-A1 | Method for quantitatively measuring the concentration of chemicals in aqueous solution | 2018-06-14 |
| US-10900959-B2 | Method for quantitatively measuring the concentration of chemicals in aqueous solution | 2018-06-14 |
| 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 |
| EP-3710061-A1 | Polymer prodrugs and subcutaneous and/or intramuscular administration thereof | 2017-11-17 |
