4-(Methylsulfonyl)phenylboronic Acid
Product Information
Molecular Formula
C7H9O4SB
Molecular Weight
200.02
Description
4-(Methanesulfonyl)phenylboronic acid may be used as reagent for: sequential Suzuki cross-coupling reactions ; Copper-catalyzed oxidative trifluoromethylthiolation of aryl boronic acids ; directed metalation and regioselective functionalization of 3-bromofuran and related heterocycles ; Barton-Zard pyrrole cyclocondensations and Baeyer-Villiger oxidations ; diplar cycloaddition and palladium-catalyzed cross-coupling processes; continuous flow Suzuki reactions for odanacatib intermediate synthesisReagent used in Preparation of; diarylaminopyridines as potential anti-malarial agents ; hydropyranopyrazine via chloropyrazinecarboxaldehyde and olefination ; biaryl sulfone derivatives as antagonists of the histamine H3 receptor ; novel kinase inhibitor scaffolds with potential antitumor effects.
Synonyms
(4-methylsulfonylphenyl)boronic acid; (4-methylsulfonylphenyl)boronic acid
IUPAC Name
(4-methylsulfonylphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)C)(O)O
InChI
InChI=1S/C7H9BO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key
VDUKDQTYMWUSAC-UHFFFAOYSA-N
Boiling Point
445.5 °C at 760 mmHg
Melting Point
289-293 °C
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.39 g/cm3
LogP
-0.14930
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
200.0314601 g/mol
Monoisotopic Mass
200.0314601 g/mol
Topological Polar Surface Area
83Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
248
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 |
| CN-112939989-A | 7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof | 2021-03-03 |
| CN-112939989-B | 7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof | 2021-03-03 |
| WO-2022033612-A1 | 7-(3,4-dimethoxy-5-selenomethylphenyl)-pyrrolo[2,3-d]pyrimidine and use thereof | 2021-03-03 |
| CN-112851671-A | 4-substituted pyrido [2,3-d ] pyrimidine-7-ketone compound and preparation method and application thereof | 2021-02-08 |
| WO-2022028598-A1 | Atr inhibitors and uses thereof | 2020-08-07 |
| 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 |
| 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 |
