4-Fluoro-2-methoxyphenylboronic Acid
Product Information
Molecular Formula
C7H8FO3B
Molecular Weight
169.95
Description
Reactant involved in: Suzuki-Miyaura cross-coupling reactions for synthesis of heterobiaryls; Suzuki and Still coupling for synthesis of antithrombotic drugs. Reactant / precursor used for the synthesis of biologically active molecules including: 2-(4-pyridyl)thienopyridinones for use as GSK-3β inhibitors; Arylheteroarylmethylamines as NR2B subtype of NMDA receptor antagonists with antidepressant activity; Biphenylketones for use as dual modulators of inflammation and bone loss; CB1 antagonists.
Synonyms
(4-fluoro-2-methoxyphenyl)boronic acid; (4-fluoro-2-methoxyphenyl)boronic acid
IUPAC Name
(4-fluoro-2-methoxyphenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1)F)OC)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key
ADJBXDCXYMCCAD-UHFFFAOYSA-N
Boiling Point
294.8 °C at 760 mmHg
Melting Point
131-136 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.26 g/cm3
LogP
-0.48590
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
170.0550524 g/mol
Monoisotopic Mass
170.0550524 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145
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-113563275-A | Preparation and application of aminopyrimidine derivatives selectively targeting CDK9 | 2021-07-27 |
| CN-113603708-A | Preparation method and application of novel CDK9 inhibitor with macrocyclic framework structure | 2021-07-27 |
| CN-113105491-A | Pyridine diphenoxyl boron fluoride compound, application thereof and organic electroluminescent device containing compound | 2021-04-13 |
| CN-114075195-A | Pyrimidone derivatives and their use in medicine | 2020-08-21 |
| WO-2022037560-A1 | Pyrimidone derivative and application thereof in drug | 2020-08-21 |
| CN-113831335-A | Pyridine [2,3-d ] pyrimidine-4- (3H) -ketone compound and preparation method and application thereof | 2020-06-24 |
| CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 2020-01-15 |
| WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 2020-01-15 |
| WO-2021130732-A1 | Antibacterial quinolines | 2019-12-27 |
| KR-102288205-B1 | Heterocyclic compound and organic light emitting device comprising same | 2019-12-13 |
