4-Fluoro-2-methoxyphenylboronic Acid - CAS 179899-07-1
Catalog: |
BB013616 |
Product Name: |
4-Fluoro-2-methoxyphenylboronic Acid |
CAS: |
179899-07-1 |
Synonyms: |
(4-fluoro-2-methoxyphenyl)boronic acid; (4-fluoro-2-methoxyphenyl)boronic acid |
IUPAC Name: | (4-fluoro-2-methoxyphenyl)boronic acid |
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. |
Molecular Weight: | 169.95 |
Molecular Formula: | C7H8FO3B |
Canonical 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 |
MDL: | MFCD03788423 |
LogP: | -0.48590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
KR-102288205-B1 | Heterocyclic compound and organic light emitting device comprising same | 20191213 |
KR-20210075714-A | Heterocyclic compound and organic light emitting device comprising same | 20191213 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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