3-Fluoro-4-formylphenylboronic acid

Product Information

Molecular Formula:
C7H6BFO3
Molecular Weight:
167.93
Description
Reactant for: Preparation of MIDA boronates for Suzuki-Miyaura cross-coupling reactions; Preparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors.
Synonyms
(3-fluoro-4-formylphenyl)boronic acid
IUPAC Name
(3-fluoro-4-formylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)C=O)F)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
InChI Key
NZNRMUVHUVCIBR-UHFFFAOYSA-N
Boiling Point
349.3 °C at 760 mmHg
Melting Point
249-250 °C
Purity
97 %
Density
1.33 g/cm3
Appearance
White to light yellow crystal powde
LogP
-0.68200

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
168.0394024 g/mol
Monoisotopic Mass
168.0394024 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
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
CN-113637179-A Three-dimensional covalent organic framework material with hea topology and preparation method thereof 2021-09-09
WO-2021247910-A1 Amino alcohol compounds and uses thereof 2020-06-03
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WO-2021113679-A1 Dimeric compounds as sting agonists 2019-12-06
US-2021077385-A1 Wet-packed soft hydrogel ocular inserts 2019-09-18
WO-2021053586-A1 Wet-packed soft hydrogel ocular inserts 2019-09-18
WO-2021055295-A1 Brd9 bifunctional degraders and their methods of use 2019-09-16
WO-2020254572-A1 Egfr inhibitors for the treatment of cancer 2019-06-21
CN-113993872-A EGFR inhibitors for the treatment of cancer 2019-06-21
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 2019-06-12
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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