4-Methyl-1-naphthaleneboronic Acid
Product Information
Molecular Formula
C11H11O2B
Molecular Weight
186.01
Description
Reactant for:Suzuki-Miyaura coupling.
Synonyms
(4-methyl-1-naphthalenyl)boronic acid; (4-methylnaphthalen-1-yl)boronic acid
IUPAC Name
(4-methylnaphthalen-1-yl)boronic acid
SMILES
B(C1=CC=C(C2=CC=CC=C12)C)(O)O
InChI
InChI=1S/C11H11BO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,13-14H,1H3
InChI Key
JHVQEUGNYSVSDH-UHFFFAOYSA-N
Boiling Point
386.3 °C at 760 mmHg
Melting Point
229-235 °C (dec.) (lit.)
Purity
≥ 95 %
Density
1.18 g/cm3
Appearance
White to cream solid
Storage
Keep in dark place, Sealed in dry, Room Temperature
LogP
0.82800
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
2
Rotatable Bond Count
1
Exact Mass
186.0852098 g/mol
Monoisotopic Mass
186.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
196
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 |
| WO-2022047230-A1 | Compounds, compositions and methods for histone lysine demethylase inhibition | 2020-08-28 |
| WO-2020165694-A1 | Anthracene compound for host material, light emitting device, light emitting apparatus, electronic equipment, and illumination device | 2019-02-14 |
| CN-112752741-A | Anthracene compound for host material, light-emitting device, electronic device, and lighting device | 2019-02-14 |
| DE-112020000101-T5 | Anthracene compound for host material, light-emitting device, light-emitting device, electronic device and lighting device | 2019-02-14 |
| JP-6918249-B2 | Anthracene compounds, host materials for light emitting devices, light emitting devices, light emitting devices, electronic devices, and lighting devices | 2019-02-14 |
| JP-WO2020165694-A1 | Anthracene compounds, host materials for light emitting devices, light emitting devices, light emitting devices, electronic devices, and lighting devices | 2019-02-14 |
| US-2021284590-A1 | Anthracene Compound for Host Material, Light-Emitting Device, Light-Emitting Apparatus, Electronic Apparatus, and Lighting Apparatus | 2019-02-14 |
| JP-2021170666-A | Host material for light emitting devices, light emitting devices, light emitting devices, electronic devices, and lighting devices | 2019-02-14 |
