4-Methoxy-2-methylphenylboronic Acid
Product Information
Molecular Formula
C8H11O3B
Molecular Weight
165.98
Description
Reactant for preparation of biologically active molecules: Preparation of hydroxyphenylnaphthols as 17ß-hydroxysteroid dehydrogenase Type 2 inhibitors. Reactant for: Preparation of axially-chiral biarylphosphonates by asymmetric Suzuki coupling catalyzed by palladium complexes with helically-chiral polyquinoxaline phosphine and polyphosphine copolymers; Preparation of arylpyrimidines and their use in regioselective acetoxylation; Preparation of N-arylated azoles via copper fluorapatite-catalyzed arylation.
Synonyms
(4-methoxy-2-methylphenyl)boronic acid; (4-methoxy-2-methylphenyl)boronic acid
IUPAC Name
(4-methoxy-2-methylphenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1)OC)C)(O)O
InChI
InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3
InChI Key
AMSQNQJCBXQYEX-UHFFFAOYSA-N
Boiling Point
327.1 °C at 760 mmHg
Melting Point
169-174 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.14 g/cm3
Appearance
Off-white powder
LogP
-0.31660
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
3
Rotatable Bond Count
2
Exact Mass
166.0801244 g/mol
Monoisotopic Mass
166.0801244 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
140
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-112877372-A | Process for preparing tertiary alpha-aryl cyclic ketones | 2021-02-18 |
| WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 2019-10-17 |
| WO-2021035101-A1 | Molecules that bind to tdp-43 for the treatment of amyotrophic lateral sclerosis and related disorders | 2019-08-22 |
| CN-111825508-A | Preparation method of dihydro 9-phenanthrene amine compound and chiral product prepared by same | 2019-04-15 |
| CN-111825508-B | Preparation method of dihydro 9-phenanthrene amine compound and chiral product prepared by same | 2019-04-15 |
| WO-2020151589-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| TW-202041507-A | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| CA-3127701-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| CN-113166116-A | Amido bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
| EP-3901147-A1 | Acylamino bridged heterocyclic compound, and composition and application thereof | 2019-01-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21476502 | 2011-05-20 | Synthesis, conformational stability, and asymmetric transformation of atropisomeric 1,8-bisphenolnaphthalenes | The Journal of organic chemistry |
