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
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 |
