2-Ethoxyphenylboronic Acid
Product Information
Molecular Formula
C8H11O3B
Molecular Weight
165.98
Description
Reactant involved in Suzuki-Miyaura cross-coupling reactions for synthesis of pyridines and pyrimidines, reactions of bromo-N-methylpyrrole, or synthesis of diarylbenzophenonesReactant involved in: Ipso-amidation with nitriles; Studies of the effect of biaryl phosphine ligand structure on C-N and C-C bond formation; Oxidative coupling via C-H arylation.
Synonyms
(2-ethoxyphenyl)boronic acid; (2-ethoxyphenyl)boronic acid
IUPAC Name
(2-ethoxyphenyl)boronic acid
SMILES
B(C1=CC=CC=C1OCC)(O)O
InChI
InChI=1S/C8H11BO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
DGFCTCGCMKEILT-UHFFFAOYSA-N
Boiling Point
328.8 °C at 760 mmHg
Melting Point
97-102 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.13 g/cm3
Appearance
White solid
LogP
-0.23490
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
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
130
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-113621215-A | Preparation method of organic-inorganic hybrid biomass phenolic resin ablation-resistant material | 2021-07-28 |
| 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-2021161084-A1 | N-(4-fluorophenyl)-5-phenyl-[1,2,4] triazolo [1,5-a] pyridine-2-carboxamide derivatives and their synthesis thereof | 2020-02-16 |
| CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 2020-01-22 |
| WO-2021126693-A1 | Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 2019-12-18 |
| WO-2021091788-A1 | Melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof | 2019-11-07 |
