4-Acetamidophenylboronic Acid

Product Information

Molecular Formula:
C8H10NO3B
Molecular Weight:
178.98
Description
Reactant involved in: Synthesis of TpI2 kinase inhibitors; Biological evaluation of modulators of survival motor neuron protein; Cross-coupling with conjugated dienes or terminal alkenes or diazoesters; Synthesis of tetrabutylammonium trifluoroborates; Rhosium-catalyzed cyanation.
Synonyms
(4-acetamidophenyl)boronic acid; (4-acetamidophenyl)boronic acid
IUPAC Name
(4-acetamidophenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
VYEWTHXZHHATTA-UHFFFAOYSA-N
Melting Point
215-220 °C (lit.)
Flash Point
Not applicable
Density
1.23 g/cm3
LogP
-0.60220

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
179.0753733 g/mol
Monoisotopic Mass
179.0753733 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
178
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-112574216-A Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 2020-12-16
CN-112574216-B Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 2020-12-16
CN-113754682-A Compounds having macrocyclic structure and uses thereof 2020-06-04
WO-2021244609-A1 Compound having macrocyclic structure and use thereof 2020-06-04
WO-2021231630-A1 Substituted pyridazinone for use in the treatment of neuromuscular diseases 2020-05-13
WO-2021216949-A1 Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 2020-04-24
WO-2021216951-A1 Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 2020-04-24
CN-111393336-A Sulfonamide compound, and metal-free catalysis construction method and application thereof 2020-03-09
US-2021261587-A1 STRAD-binding agents and Uses Thereof 2020-01-30
WO-2021155004-A1 Strad-binding agents and uses thereof 2020-01-30

Literatures

PMID Publication Date Title Journal
20809657 2010-10-01 Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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