(2-ethoxy-4,5-difluorophenyl)boronic acid
Product Information
Molecular Formula
C8H9BF2O3
Molecular Weight
201.963
Description
2-Ethoxy-4,5-difluorophenyl boronic acid is a boronic acid derivative that has been extensively studied for its role as a basic entity within the framework of the Suzuki coupling reaction.
Synonyms
4,5-Difluoro-2-ethoxyphenylboronic acid; 4,5-difluro-2-ethoxyphenylboronic acid; (2-Ethoxy-4,5-difluorophenyl)boronicacid; (2-Ethoxy-4,5-difluoro-phenyl)boronic acid; B-(2-Ethoxy-4,5-difluorophenyl)boronic acid
IUPAC Name
(2-ethoxy-4,5-difluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1OCC)F)F)(O)O
InChI
InChI=1S/C8H9BF2O3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4,12-13H,2H2,1H3
InChI Key
DIDGIGNOIJJEGJ-UHFFFAOYSA-N
Melting Point
136-140 °C
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
202.0612806 g/mol
Monoisotopic Mass
202.0612806 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
182
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 |
|---|---|---|
| CA-3011652-A1 | Novel pyrrolidine derivatives | 2016-02-26 |
| EP-3419970-A1 | Novel pyrrolidine derivatives | 2016-02-26 |
| EP-3419970-B1 | Novel pyrrolidine derivatives | 2016-02-26 |
| JP-2019506416-A | New pyrrolidine derivatives | 2016-02-26 |
| KR-20180111862-A | A novel pyrrolidine derivative | 2016-02-26 |
| TW-201733981-A | Novel pyrrolidine derivatives | 2016-02-26 |
| US-10689339-B2 | Pyrrolidine derivatives | 2016-02-26 |
| US-2018362461-A1 | Novel pyrrolidine derivatives | 2016-02-26 |
| WO-2017144483-A1 | Novel pyrrolidine derivatives | 2016-02-26 |
| AU-2017224343-B2 | Novel pyrrolidine derivatives | 2016-02-26 |
