3-Chloro-4-methoxybenzeneboronic acid
Product Information
Molecular Formula
ClC6H3(OCH3)B(OH)2
Molecular Weight
186.401
Description
Reactant for:• Iron-catalyzed oxidative coupling with benzene derivatives through homolytic aromatic substitution• Preparation of microtubule inhibitors as potential antitumors• Rhodium/chiral ligand-catalyzed arylation/Dieckmann-type annulation• Copper-catalyzed oxidative N-arylation• Suzuki and Stille palladium-catalyzed coupling• Boron-Heck arylation
Synonyms
Boronic acid, (3-chloro-4-methoxyphenyl)-; (3-Chloro-4-methoxyphenyl)boronicacid; 3-chloro-4-methoxy-phenylboronic acid; 3-chloro-4-methoxyphenyl boronic acid; [3-chloro-4-(methyloxy)phenyl]boronic acid; Boronic acid, B-(3-chloro-4-methoxyphenyl)-; 3-chloro-4-methoxyphenylboronic acid (contains varying amounts of anhydride)
IUPAC Name
(3-chloro-4-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OC)Cl)(O)O
InChI
InChI=1S/C7H8BClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3
InChI Key
VUTJHOWRPUPHIG-UHFFFAOYSA-N
Melting Point
238-242 °C (lit.)
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
186.0255020 g/mol
Monoisotopic Mass
186.0255020 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 |
| CN-113444038-A | 2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof | 2021-07-07 |
| US-2022040336-A1 | Heterobiaryl compounds and imaging agents for imaging huntingtin protein | 2020-08-06 |
| WO-2021249893-A1 | Novel imidazo-pyrazine derivatives | 2020-06-08 |
| CN-111440174-B | Pyridine amide compound and preparation method and application thereof | 2020-04-02 |
| WO-2021130732-A1 | Antibacterial quinolines | 2019-12-27 |
| US-2020392113-A1 | Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators | 2019-06-14 |
| WO-2020249802-A1 | Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators | 2019-06-14 |
| AU-2020292994-A1 | Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators | 2019-06-14 |
| CA-3143105-A1 | Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators | 2019-06-14 |
