4-Methoxy-3-methylphenylboronic Acid
Product Information
Molecular Formula
C8H11O3B
Molecular Weight
165.98
Description
Reactant for: Preparation of hydroxyphenylnaphthols as 17β-hydroxysteroid dehydrogenase Type 2 inhibitors; Synthesis of bioactive combretastatin analogs via regioselective Suzuki coupling; Preparation of aromatic nitriles via copper-mediated cyanation; Rhodium-catalyzed allylic arylation of meso cyclopentene dicarbonates; Lewis acid-assisted asymmetric allylic substitution of butenediyl carbonates using rhodium catalyst.
Synonyms
(4-methoxy-3-methylphenyl)boronic acid; (4-methoxy-3-methylphenyl)boronic acid
IUPAC Name
(4-methoxy-3-methylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OC)C)(O)O
InChI
InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3
InChI Key
PXVDQGVAZBTFIB-UHFFFAOYSA-N
Boiling Point
321.4 °C at 760 mmHg
Melting Point
205-210 °C (lit.)
Flash Point
Not applicable
Density
1.14 g/cm3
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| WO-2021178780-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2020-03-06 |
| WO-2021139775-A1 | Pyridone compound and application | 2020-01-10 |
| US-11008288-B1 | Methods for preparation of apremilast | 2019-12-30 |
| CN-111732584-A | Diaryl substituted fused heterocyclic compound, preparation method thereof and application thereof in pharmacy | 2019-03-25 |
| US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 2018-09-28 |
| WO-2020065613-A1 | Monoacylglycerol lipase modulators | 2018-09-28 |
| TW-202028198-A | Monoacylglycerol lipase modulators | 2018-09-28 |
| AU-2019350624-A1 | Monoacylglycerol lipase modulators | 2018-09-28 |
| BR-112021005896-A2 | monoacylglycerol lipase modulators | 2018-09-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20809657 | 2010-10-01 | Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates | The Journal of organic chemistry |
