4-Ethoxyphenylboronic acid
Product Information
Molecular Formula
C2H5OC6H4B(OH)2
Molecular Weight
165.98
Description
Reactant involved in Suzuki cross coupling reactionsReactant involved in the synthesis of biologically active molecules including:• Novel modulators of survival motor neuron protein for treatment of spinal muscular atrophy• Amino-trimethoxyphenyl-aryl thiazoles for use as microtubule inhibitors and antitumor agents• Bicyclic hydroxyphenyl methanone derivatives for use as hydroxysteroid dehydrogenase inhibitors• Dual immunosuppressive and anti-inflammatory agents• Antiproliferatives via Suzuki cross-coupling / amination reactions
Synonyms
4-Ethoxybenzeneboronic acid
IUPAC Name
(4-ethoxyphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)OCC)(O)O
InChI
InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
WRQNDLDUNQMTCL-UHFFFAOYSA-N
Melting Point
121-128 °C (lit.)
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
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
122
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-113929635-A | 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof | 2021-11-09 |
| CN-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-111943971-A | Preparation method of boric acid derivative | 2020-09-17 |
| CN-112047970-A | Method for preparing boric acid derivative | 2020-09-17 |
| JP-2022022902-A | Compound with fluorene skeleton | 2020-07-10 |
| WO-2021249893-A1 | Novel imidazo-pyrazine derivatives | 2020-06-08 |
| CN-113444125-A | Novel phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction | 2020-03-26 |
| CN-113493433-A | Benzopyrone derivative capable of being used as GPR35 receptor agonist, preparation method and application thereof | 2020-03-18 |
| WO-2021185298-A1 | Egfr tyrosine kinase inhibitor and use thereof | 2020-03-18 |
| CN-111362833-A | Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof | 2020-02-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5826 | 1975-02-01 | [The meaning of the normal values of the ejaculate for fertility] | Zeitschrift fur Hautkrankheiten |
