2-Fluoro-6-methoxyphenylboronic Acid
Product Information
Molecular Formula
C7H8FO3B
Molecular Weight
169.95
Description
Reactant for: Preparation of functionally selective allosteric modulators of GABAA receptors; Suzuki cross-coupling reaction; Preparation of inhibitors of the checkpoint kinase Wee1.
Synonyms
(2-fluoro-6-methoxyphenyl)boronic acid; (2-fluoro-6-methoxyphenyl)boronic acid
IUPAC Name
(2-fluoro-6-methoxyphenyl)boronic acid
SMILES
B(C1=C(C=CC=C1F)OC)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3
InChI Key
XOVMDVZAWWQSDC-UHFFFAOYSA-N
Boiling Point
303.1 °C at 760 mmHg
Melting Point
120-125 °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+P340, P305+P351+P338, P312, P321, P330, 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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| WO-2022037630-A1 | Tetracyclic derivative, method for preparing same and use thereof in medicine | 2020-08-21 |
| CN-113354651-A | Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines | 2020-07-30 |
| WO-2021248079-A1 | Heterocyclic compounds and methods of use thereof | 2020-06-05 |
| WO-2021248095-A1 | Heterocyclic compounds and methods of use thereof | 2020-06-05 |
| WO-2021239058-A1 | Fused tricyclic compound, pharmaceutical composition thereof, and use thereof | 2020-05-27 |
| CN-112142735-A | Condensed cyanopyridine compound, preparation method and application | 2020-04-09 |
| CN-112142735-B | Condensed cyanopyridine compound, preparation method and application | 2020-04-09 |
| CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 2020-02-04 |
| CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 2020-02-04 |
