2-Formyl-4,5-methylenedioxyphenylboronic acid

Inquiry

Molecular Formula:

C8H7BO5

Molecular Weight:

193.95

CAS Number:

94838-88-7

Catalog Number:

94838-88-7

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

194.0386535 g/mol

Monoisotopic Mass

194.0386535 g/mol

Topological Polar Surface Area

76Å²

Heavy Atom Count

Formal Charge

Complexity

222

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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