3-Formyl-2-methoxyphenylboronic acid
Product Information
Molecular Formula
C8H9BO4
Molecular Weight
179.97
Description
Reactant for: Preparation of formyl-substituted aryl MIDA boronates; Preparation of indolylamino phenylthienopyridine carbonitrile PKCθ inhibitors.
Synonyms
(3-formyl-2-methoxyphenyl)boronic acid
IUPAC Name
(3-formyl-2-methoxyphenyl)boronic acid
SMILES
B(C1=C(C(=CC=C1)C=O)OC)(O)O
InChI
InChI=1S/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3
InChI Key
DUROSIJIMLRFHR-UHFFFAOYSA-N
Boiling Point
407.7 °C at 760 mmHg
Melting Point
124-128 °C
Purity
97 %
Density
1.25 g/cm3
Storage
2-8 °C
LogP
-0.81250
Safety Information
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
180.0593889 g/mol
Monoisotopic Mass
180.0593889 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
174
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 |
|---|---|---|
| WO-2021050688-A1 | Compounds and uses thereof | 2019-09-10 |
| JP-6884020-B2 | Non-aqueous electrolyte for batteries and lithium secondary battery | 2017-03-30 |
| JP-2016095965-A | Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device | 2014-11-13 |
| JP-2016056131-A | Method for producing carbon-carbon coupling product using solid catalyst | 2014-09-10 |
| CA-2789200-A1 | Pharmaceutically active disubstituted triazine derivatives | 2010-03-22 |
| CA-2789200-C | Pharmaceutically active disubstituted triazine derivatives | 2010-03-22 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
| AU-2010218224-A1 | Soluble guanylate cyclase activators | 2009-02-26 |
