3-Formyl-4-methoxyphenylboronic acid
Product Information
Molecular Formula
C8H9BO4
Molecular Weight
179.97
Description
Reactant for: Copper(I)-mediated cyanation; Suzuki-Miyaura cross-coupling reactions; Preparation of biologically and pharmacologically active molecules.
Synonyms
(3-formyl-4-methoxyphenyl)boronic acid
IUPAC Name
(3-formyl-4-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OC)C=O)(O)O
InChI
InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3
InChI Key
YJQDBKGGRPJSOI-UHFFFAOYSA-N
Boiling Point
394.8 °C at 760 mmHg
Melting Point
214-217 °C (lit.)
Flash Point
Not applicable
Purity
98 %
Density
1.25 g/cm3
LogP
-0.81250
Safety Information
Hazards
H314
Precautionary Statement
P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
180.0593889 g/mol
Monoisotopic Mass
180.0593889 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
174
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-113930790-A | Synthetic method of aryl selenide compound | 2021-09-07 |
| CN-111440174-A | Pyridine amide compound and preparation method and application thereof | 2020-04-02 |
| CN-111440174-B | Pyridine amide compound and preparation method and application thereof | 2020-04-02 |
| WO-2021001866-A1 | Compound, resin precursor, cured product, optical element, optical system, interchangeable lens for cameras, optical device, cemented lens and method for producing cemented lens | 2019-07-01 |
| CN-113939545-A | Compound, resin precursor, cured product, optical element, optical system, interchangeable lens for camera, optical device, bonded lens, and method for producing bonded lens | 2019-07-01 |
| WO-2020242245-A1 | Phthalazinone compounds and use thereof | 2019-05-29 |
| CN-113840820-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| KR-20210137216-A | Phthalazinone compounds and uses thereof | 2019-05-29 |
| WO-2020095442-A1 | Compound, resin precursor, cured object, optical element, optical system, interchangeable lens for camera, optical device, cemented lens, and method for producing cemented lens | 2018-11-09 |
| CN-112969682-A | Compound, resin precursor, cured product, optical element, optical system, interchangeable lens for camera, optical device, bonded lens, and method for producing bonded lens | 2018-11-09 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20710065 | 2010-08-11 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
