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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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