2-Formyl-4,5-methylenedioxyphenylboronic acid
Product Information
Molecular Formula
C8H7BO5
Molecular Weight
193.95
Description
Reactant for: Enantioselective preparation of indenamines by cationic palladium complex-catalyzed tandem annulation with alkynes; Stereoselective preparation of indenol derivatives via cationic palladium complex-catalyzed diastereoselective tandem annulation; Synthesis of oxazoline-substituted potassium organotrifluoroborates; Preparation of aristolactam analogs as an antitumor agent; Suzuki-Miyaura coupling reactions; Suzuki and Negishi cross-coupling reactions.
Synonyms
(6-formyl-1,3-benzodioxol-5-yl)boronic acid
IUPAC Name
(6-formyl-1,3-benzodioxol-5-yl)boronic acid
SMILES
B(C1=CC2=C(C=C1C=O)OCO2)(O)O
InChI
InChI=1S/C8H7BO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3,11-12H,4H2
InChI Key
AKEPUIJBVDGLMX-UHFFFAOYSA-N
Boiling Point
434.3 °C at 760 mmHg
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.49 g/cm3
Appearance
Orange solid
Storage
Sealed in dry, 2-8 °C
LogP
-1.09240
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
194.0386535 g/mol
Monoisotopic Mass
194.0386535 g/mol
Topological Polar Surface Area
76Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
222
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-2013084198-A1 | Chemical modification and bioconjugation of proteins or peptides using boron compounds | 2011-12-07 |
| CA-2721060-A1 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| EP-2282742-A1 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| JP-2011516564-A | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| JP-5637982-B2 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| US-2011172186-A1 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| US-2015368278-A1 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| US-8957049-B2 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| WO-2009126691-A1 | Inhibitors of fatty acid amide hydrolase | 2008-04-09 |
| KR-101124350-B1 | Phenanthrene lactam derivative having anticancer activity, preparation method thereof and pharmaceutical composition comprising the same | 2007-10-17 |
