4-Iodophenylboronic Acid

Inquiry

Molecular Formula:

C6H6IO2B

Molecular Weight:

247.83

CAS Number:

5122-99-6

Catalog Number:

5122-99-6

Product Information

Molecular Formula:

C6H6IO2B

Molecular Weight:

247.83

Description

Reagent used for: Copper-mediated ligandless aerobic fluoroalkylation ; Palladium-catalyzed aerobic oxidative cross-coupling reactions ; Recyclable magnetic-nanoparticle-supported palladium catalyst for the Suzuki coupling reactions ; Oxidative hydroxylation using a copper (Cu) catalyst ; Ligand-free palladium-catalyzed Suzuki-Miyaura cross-coupling ; Homocoupling using gold salts as a catalyst ; Ruthenium (Ru)-catalyzed cross-coupling ; CuI-catalyzed Suzuki coupling reactions ; Palladium-catalyzed domino Heck-Mizoroki/Suzuki-Miyaura reactions ; Manganese triacetate-mediated radical additions of arylboronic acids to alkenes Reagent used in Preparation of ; Pleuromutilin derivatives for ribosomal binding and antibacterial activity via "Click Chemistry" ; Liquid crystalline polyacetylene derivatives.

Synonyms

(4-iodophenyl)boronic acid; (4-iodophenyl)boronic acid

IUPAC Name

(4-iodophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C6H6BIO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H

InChI Key

PELJYVULHLKXFF-UHFFFAOYSA-N

Boiling Point

333.1 °C at 760 mmHg

Melting Point

326-330 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95.0 %

Density

1.95 g/cm³

Appearance

Solid

LogP

-0.02900

Safety Information

Hazards

H302 - H315 - H319 - H335

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

247.95056 g/mol

Monoisotopic Mass

247.95056 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

102

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-114031623-A	C14Amino-substituted tetrandrine derivative and preparation and application thereof	2021-11-12
CN-113979939-A	Synthesis method and application of 2-arylquinoline-4-carboxylic ester	2021-09-12
CN-113527353-A	Fluorescent probe for detecting active oxygen molecules and preparation method and application thereof	2021-06-25
CN-112687878-A	Electrochemical device and electronic device	2020-12-25
CN-112198309-A	Chemiluminescence substrate detection kit with high sensitivity and stable signal	2020-09-29
WO-2022047347-A1	Protein secretion inhibitors	2020-08-31
WO-2022047145-A1	Rapidly accelerating fibrosarcoma protein degrading compounds and associated methods of use	2020-08-28
CN-111647011-A	Preparation method of monohalogenated phenylboronic acid	2020-07-16
CN-110850097-A	Calprotectin detection kit and detection method	2019-11-07
CN-110668960-A	Preparation method of alpha-aryl alpha-aminoketone compound	2019-10-22

Literatures

PMID	Publication Date	Title	Journal
23013456	2012-10-05	Direct amidation of carboxylic acids catalyzed by ortho-iodo arylboronic acids: catalyst optimization, scope, and preliminary mechanistic study supporting a peculiar halogen acceleration effect	The Journal of organic chemistry
17297238	2007-02-01	Enhancing effect of phenylboronic acid compounds and their interactions with the diol groups of saccharides in a capillary electrophoresis-chemiluminescence detection system	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry
17141265	2007-01-10	A cost effective non-commercial ECL-solution for Western blot detections yielding strong signals and low background	Journal of immunological methods
16716339	2006-08-04	Molecular recognition of mono- and disaccharides through interaction with p-iodophenylboronic acid in capillary electrophoresis with a chemiluminescence detection system	Journal of chromatography. A

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