4-Fluoro-3-formylphenylboronic acid

Product Information

Molecular Formula:
C7H6BFO3
Molecular Weight:
167.93
Description
Reactant for: Preparation of arylmethylpyrrolidinylmethanols and amine derivatives via reaction with MIDA, followed by Suzuki reaction with halides or amination with amines; Preparation of N-(biarylsulfonyl) a-amino acids as MMP-12 inhibitors using a genetic algorithm; Preparation of para-substituted formylarylboronic esters for regioselective Suzuki-Miyaura cross-coupling with bromobenzene.
Synonyms
(4-fluoro-3-formylphenyl)boronic acid
IUPAC Name
(4-fluoro-3-formylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)F)C=O)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H
InChI Key
YABSTJQEBSKPCG-UHFFFAOYSA-N
Boiling Point
342.9 °C at 760 mmHg
Melting Point
215-220 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.33 g/cm3
Storage
2-8 °C
LogP
-0.68200

Safety Information

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-112851671-A 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof 2021-02-08
CN-112939971-A Coumarin compound and preparation method and application thereof 2021-02-08
CN-114149423-A Tetrahydropyridopyrimidine diketone derivative, preparation method and medical application thereof 2020-09-08
WO-2021249463-A1 Bicyclic compound and application thereof 2020-06-11
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-2020242245-A1 Phthalazinone compounds and use thereof 2019-05-29
CN-113840820-A Phthalazinone compounds and uses thereof 2019-05-29
KR-20210137216-A Phthalazinone compounds and uses thereof 2019-05-29
WO-2020200918-A1 Isochromene derivatives as phosphoinositide 3-kinases inhibitors 2019-04-04
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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