3-(N,N-Dimethylamino)phenylboronic Acid

Product Information

Molecular Formula:
C8H12NO2B
Molecular Weight:
165.00
Description
Reactant involved in synthesis of different protein effector including: Modulators of survival motor neuron protein; Glucokinase activators; Aryl ethers for use as Bacillus anthracis enoyl-ACP reductase inhibitors.Reactant involved in synthesis of: Thiourea-functionalized paracyclophanes; Low-background fluorescent imaging agents for nitric oxideReactant to undergo regioselective iodination and bromination.
Synonyms
[3-(dimethylamino)phenyl]boronic acid; [3-(dimethylamino)phenyl]boronic acid
IUPAC Name
[3-(dimethylamino)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)N(C)C)(O)O
InChI
InChI=1S/C8H12BNO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key
YZQQHZXHCXAJAV-UHFFFAOYSA-N
Boiling Point
344 °C at 760 mmHg
Melting Point
178-190 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.12 g/cm3
Appearance
Solid
LogP
-0.56760

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
165.0961088 g/mol
Monoisotopic Mass
165.0961088 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
141
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-113004194-A Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 2021-03-09
CN-112125827-A Synthetic method for derivatization reagent of steroid compound containing carbonyl 2020-09-30
WO-2022047347-A1 Protein secretion inhibitors 2020-08-31
WO-2021216757-A1 Rna-binding protein multimerization inhibitors and methods of use thereof 2020-04-21
EP-3878891-A1 Dynamic covalent hydrogels, precursors thereof and uses thereof 2020-03-10
CN-110819115-A Polysiloxane with efficient self-repairing characteristic and preparation method thereof 2019-11-25
CN-110819115-B Polysiloxane with efficient self-repairing characteristic and preparation method thereof 2019-11-25
WO-2021007477-A1 Indazoles and azaindazoles as lrrk2 inhibitors 2019-07-11
WO-2020264176-A1 Urea derivatives as cb1 allosteric modulators 2019-06-28
WO-2020215094-A1 Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof 2019-04-18

Literatures

PMID Publication Date Title Journal
20627667 2010-09-01 Direct spectroscopic observation of binding of sugars to polymers having phenylboronic acids substituted with an ortho-phenylazo group Colloids and surfaces. B, Biointerfaces
5064 1976-01-01 Benorylate interaction with indomethacin and phenylbutazone Archives internationales de pharmacodynamie et de therapie
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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