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
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 |
