2,3,4-Trimethoxyphenylboronic Acid
Product Information
Molecular Formula
C9H13O5B
Molecular Weight
212.01
Description
Reactant for: Suzuki-Miyaura cross-coupling reactions.
Synonyms
(2,3,4-trimethoxyphenyl)boronic acid; (2,3,4-trimethoxyphenyl)boronic acid
IUPAC Name
(2,3,4-trimethoxyphenyl)boronic acid
SMILES
B(C1=C(C(=C(C=C1)OC)OC)OC)(O)O
InChI
InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
InChI Key
LDQLSQRFSNMANA-UHFFFAOYSA-N
Boiling Point
371.1 °C at 760 mmHg
Melting Point
74-79 °C (lit.)
Density
1.21 g/cm3
Appearance
White powder
Storage
2-8 °C
LogP
-0.60780
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
5
Rotatable Bond Count
4
Exact Mass
212.0856037 g/mol
Monoisotopic Mass
212.0856037 g/mol
Topological Polar Surface Area
68.2Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
189
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-108467370-A | Triazole naphthoquinones biaryl（It is miscellaneous）Ring derivatives | 2017-11-29 |
| US-2020071274-A1 | 8-phenyl-isoquinolines and pharmaceutical composition thereof used in the treatment of irritable bowel syndrome | 2017-03-03 |
| JP-2016056131-A | Method for producing carbon-carbon coupling product using solid catalyst | 2014-09-10 |
| EP-3118204-A1 | O-phenyl chalcone compound and preparation method and use thereof | 2014-01-23 |
| US-2016333033-A1 | O-Phenyl Chalcone Compounds And Preparation Method And Use Thereof | 2014-01-23 |
| US-2017247398-A1 | O-phenyl chalcone compounds and uses thereof | 2014-01-23 |
| US-9663542-B2 | O-phenyl chalcone compounds and preparation method and use thereof | 2014-01-23 |
| US-9988405-B2 | O-phenyl chalcone compounds and uses thereof | 2014-01-23 |
| WO-2015109963-A1 | O-phenyl chalcone compound and preparation method and use thereof | 2014-01-23 |
| DE-102013226008-A1 | Color protecting detergents | 2013-12-16 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20936789 | 2010-11-11 | Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization | Journal of medicinal chemistry |
