4-Carbamoylphenylboronic Acid

Inquiry

Molecular Formula:

C7H8NO3B

Molecular Weight:

164.95

CAS Number:

123088-59-5

Catalog Number:

123088-59-5

Product Information

Molecular Formula:

C7H8NO3B

Molecular Weight:

164.95

Description

Reactant involved in: Suzuki-Miyaura, Sonogashira and Buchwald-Hartwig cross-coupling reactions for the synthesis of substituted pyrene derivatives; Suzuki-Miyaura reactions for the synthesis of aryl-substituted oxabenzindoles and methanobenzindoles or 2-aminoimidazole triazoles; Three-component coupling with triflates and alkenes. Reactant involved in synthesis of biologically active molecules including: Hybrid peptidomimetic molecules as STAT3 protein inhibitors; Vasopressin V1B receptor antagonists for use as antidepressants oand anxiolytics; (Thienopyridine)caboxamides as CHK1 inhibitors.

Synonyms

(4-carbamoylphenyl)boronic acid; (4-carbamoylphenyl)boronic acid

IUPAC Name

(4-carbamoylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H8BNO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H2,9,10)

InChI Key

GNRHNKBJNUVWFZ-UHFFFAOYSA-N

Boiling Point

414.3 °C at 760 mmHg

Melting Point

229-234 °C

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.32 g/cm³

Storage

2-8 °C

LogP

-0.83440

Safety Information

Hazards

H302

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

165.0597233 g/mol

Monoisotopic Mass

165.0597233 g/mol

Topological Polar Surface Area

83.6Å²

Heavy Atom Count

Formal Charge

Complexity

166

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-113968824-A	2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof	2021-11-29
CN-113697808-A	Transition metal oxide-loaded porous carbon material, and preparation method and application thereof	2021-08-26
WO-2022020617-A1	Therapeutic agents targeting gpr35	2020-07-23
WO-2021231474-A1	METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION	2020-05-12
CN-111420641-A	Phenylboronic acid modified metal-organic framework composite fiber, and preparation method and application thereof	2020-04-30
CN-111440328-A	Boric acid modified metal oxide nano array-MOF composite material, and preparation method and application thereof	2020-04-30
CN-111440328-B	Boric acid modified metal oxide nano array-MOF composite material, and preparation method and application thereof	2020-04-30
CN-110967488-A	Test strip, kit and method for measuring glycosylated hemoglobin	2019-12-20
WO-2021113263-A1	Crf receptor antagonists and methods of use	2019-12-04
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	2019-06-19

Literatures

PMID	Publication Date	Title	Journal
22272238	2012-01-01	Non inflammatory boronate based glucose-responsive insulin delivery systems	PloS one
21579374	2010-05-08	(4-Carbamoylphen-yl)boronic acid	Acta crystallographica. Section E, Structure reports online
14684290	2004-01-05	3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH	Bioorganic & medicinal chemistry letters

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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