4-Formylphenylboronic acid

Inquiry

Molecular Formula:

C7H7BO3

Molecular Weight:

149.94

CAS Number:

87199-17-5

Catalog Number:

87199-17-5

Product Information

Molecular Formula:

C7H7BO3

Molecular Weight:

149.94

Description

Reagent used for: Palladium-catalyzed arylation Suzuki-Miyaura cross-coupling in water ; Copper-mediated ligandless aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides ; Ligand-free copper-catalyzed coupling of nitro arenes with arylboronic acids ; Triethylamine-catalyzed three-component Hantzsch condensations ; Copper-catalyzed nitrations ; Oxidative mono-cleavage of dialkenes catalyzed by Trametes hirsuta ; Palladacycle-catalyzed cross-coupling of arylboronic acids with carboxylic anhydrides or acyl chlorides ; Palladium-catalyzed aerobic oxidative cross-coupling reactions Reagent used in Preparation of; Sensitizers with dithiafulvenyl unit as electron donor for high-efficiency dye-sensitized solar cells; A novel protein synthesis inhibitor active against Gram-positive bacteria.

Synonyms

Boronic acid, (4-formylphenyl)-; 4-Boronobenzaldehyde; p-formylphenylboronic acid; MFCD00151823; 4-benzaldehyde boronic acid; 4-(Dihydroxyboryl)benzaldehyde; CHEMBL140254

IUPAC Name

(4-formylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H

InChI Key

VXWBQOJISHAKKM-UHFFFAOYSA-N

Boiling Point

347.6±44.0 °C (Predicted)

Melting Point

237-242 °C

Flash Point

Not applicable

Purity

95 %

Density

1.240±0.10 g/cm³ (Predicted)

Solubility

Slightly Soluble in Water

Appearance

White to yellowish crystal powder

Storage

2-8 °C

LogP

-0.82110

Safety Information

Hazards

H317

Precautionary Statement

P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

150.0488242 g/mol

Monoisotopic Mass

150.0488242 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

130

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-114045082-A	Composite coating with self-repairing, air-permeable and wear-resistant properties, and preparation method and application thereof	2021-12-14
CN-113896651-A	Synthesis method of dominant malachite green hapten and application of hapten	2021-12-06
CN-113896651-B	Synthesis method of dominant malachite green hapten and application of hapten	2021-12-06
CN-114133386-A	Silver ion complexing agent, preparation method and method for directly converting silver ions in wastewater into antibacterial material	2021-11-30
CN-113896736-A	Aryl-substituted spirooxazine photochromic compound and preparation method and application thereof	2021-11-18
CN-114106943-A	Multienzyme cleaning agent and processing equipment thereof	2021-11-08
CN-113956274-A	Design and synthesis method of fluorescent probe capable of responding to viscosity and peroxynitrite change in epileptic diseases	2021-10-29
CN-113845646-A	Dual-functionalized conjugated microporous polymer based on pyrimidine and cyano, and preparation method and application thereof	2021-10-20
CN-113999217-A	Novel compound, preparation method and application of novel compound as co-sensitizer	2021-10-19
CN-114181716-A	Gas response type Pickering emulsifier, preparation method and application in Suzuki reaction	2021-10-19

Literatures

PMID	Publication Date	Title	Journal
21431183	2011-05-07	Synthesis of tri-substituted biaryl based trianglimines: formation of C3-symmetrical and non-symmetrical regioisomers	Organic & biomolecular chemistry
20710065	2010-08-11	Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids	Antiviral chemistry & chemotherapy
20502601	2010-03-11	Efficient and improved synthesis of Telmisartan	Beilstein journal of organic chemistry
17537249	2007-05-30	A convenient catalyst system for microwave accelerated cross-coupling of a range of aryl boronic acids with aryl chlorides	Beilstein journal of organic chemistry
16848408	2006-07-01	Chitosan-pentaglycine-phenylboronic acid conjugate: a potential colon-specific platform for calcitonin	Bioconjugate chemistry
16099661	2005-12-15	Dicationic near-linear biphenyl benzimidazole derivatives as DNA-targeted antiprotozoal agents	Bioorganic & medicinal chemistry
12375944	2002-10-18	An exceptional red shift of emission maxima upon fluorine substitution	The Journal of organic chemistry
11740104	2001-12-01	Space-group revision for 4-formylphenylboronic acid	Acta crystallographica. Section C, Crystal structure communications

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