(2-ethoxy-4,5-difluorophenyl)boronic acid

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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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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