3-Formyl-4-methoxyphenylboronic acid

Inquiry

Molecular Formula:

C8H9BO4

Molecular Weight:

179.97

CAS Number:

121124-97-8

Catalog Number:

121124-97-8

Product Information

Molecular Formula:

C8H9BO4

Molecular Weight:

179.97

Description

Reactant for: Copper(I)-mediated cyanation; Suzuki-Miyaura cross-coupling reactions; Preparation of biologically and pharmacologically active molecules.

Synonyms

(3-formyl-4-methoxyphenyl)boronic acid

IUPAC Name

(3-formyl-4-methoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=C(C=C1)OC)C=O)(O)O

InChI

InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3

InChI Key

YJQDBKGGRPJSOI-UHFFFAOYSA-N

Boiling Point

394.8 °C at 760 mmHg

Melting Point

214-217 °C (lit.)

Flash Point

Not applicable

Purity

98 %

Density

1.25 g/cm³

LogP

-0.81250

Safety Information

Hazards

H314

Precautionary Statement

P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Danger

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0593889 g/mol

Monoisotopic Mass

180.0593889 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

174

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
CN-113930790-A	Synthetic method of aryl selenide compound	2021-09-07
CN-111440174-A	Pyridine amide compound and preparation method and application thereof	2020-04-02
CN-111440174-B	Pyridine amide compound and preparation method and application thereof	2020-04-02
WO-2021001866-A1	Compound, resin precursor, cured product, optical element, optical system, interchangeable lens for cameras, optical device, cemented lens and method for producing cemented lens	2019-07-01
CN-113939545-A	Compound, resin precursor, cured product, optical element, optical system, interchangeable lens for camera, optical device, bonded lens, and method for producing bonded lens	2019-07-01
WO-2020242245-A1	Phthalazinone compounds and use thereof	2019-05-29
CN-113840820-A	Phthalazinone compounds and uses thereof	2019-05-29
KR-20210137216-A	Phthalazinone compounds and uses thereof	2019-05-29
WO-2020095442-A1	Compound, resin precursor, cured object, optical element, optical system, interchangeable lens for camera, optical device, cemented lens, and method for producing cemented lens	2018-11-09
CN-112969682-A	Compound, resin precursor, cured product, optical element, optical system, interchangeable lens for camera, optical device, bonded lens, and method for producing bonded lens	2018-11-09

Literatures

PMID	Publication Date	Title	Journal
20710065	2010-08-11	Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids	Antiviral chemistry & chemotherapy

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The dilution calculator equation

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