3-Fluoro-4-methoxyphenylboronic Acid
Product Information
Molecular Formula
C7H8FO3B
Molecular Weight
169.95
Description
Reactant for: Preparation of hydroxyphenylnaphthols as 17ß-hydroxysteroid dehydrogenase Type 2 inhibitors; Regioselective Suzuki coupling; Ruthenium-catalyzed arylation reactions; Synthesis of amino-trimethoxyphenyl-aryl thiazoles as microtubule inhibitors and potential antitumors; Rhodium catalyzed cyanation; Petasis reaction.
Synonyms
(3-fluoro-4-methoxyphenyl)boronic acid; (3-fluoro-4-methoxyphenyl)boronic acid
IUPAC Name
(3-fluoro-4-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OC)F)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChI Key
IILGLPAJXQMKGQ-UHFFFAOYSA-N
Boiling Point
318.1 °C at 760 mmHg
Melting Point
206-211 °C (lit.)
Purity
≥ 95 %
Density
1.26 g/cm3
LogP
-0.48590
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2021249896-A1 | Novel imidazopyrazine derivatives | 2020-06-09 |
| WO-2021249893-A1 | Novel imidazo-pyrazine derivatives | 2020-06-08 |
| CN-111518058-A | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111518058-B | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| WO-2021238588-A1 | Oxathiazine compound and use thereof | 2020-05-29 |
