2-Fluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester

Product Information

Molecular Formula:
C14H18BFO4
Molecular Weight:
280.1
Description
2-Fluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester is a chemical compound considered as a useful synthetic intermediate. Used in the pharmaceutical industry, it's crucial for producing medicines to treat various disorders, including oncological, neurological, and cardiovascular diseases.
Synonyms
Methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC Name
methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)OC)F
InChI
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5/h6-8H,1-5H3
InChI Key
HPLWCULFGNLCFB-UHFFFAOYSA-N
Melting Point
66-71 °C
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
280.1282174 g/mol
Monoisotopic Mass
280.1282174 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
369
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
US-2020361939-A1 Modulators of alpha-1 antitrypsin 2019-05-14
WO-2020114307-A1 Isoxazole derivative, preparation method therefor and use thereof 2018-12-07
CN-112805279-A Isoxazole derivative and preparation method and application thereof 2018-12-07
CN-111263759-A Isoxazole derivative and preparation method and application thereof 2017-12-22
EP-3730491-A1 Isoxazole derivative, preparation method therefor, and use thereof 2017-12-22
KR-20200102415-A Isooxazole derivatives, preparation method and use thereof 2017-12-22
US-2020339558-A1 Isoxazole derivative, preparation method therefor, and use thereof 2017-12-22
US-2016214924-A1 Substituted naphthalene compounds as calcium sensing receptor modulators 2013-08-28
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators 2013-08-28
AU-2014213125-A1 Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors 2013-01-31
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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