4-Cyclohexylbenzeneboronic acid
Product Information
Molecular Formula
C12H17BO2
Molecular Weight
204.07
Description
4-Cyclohexylbenzeneboronic acid is a valuable reagent widely used in the biomedical industry. It plays a crucial role in organic synthesis, particularly in the development of pharmaceutical drugs. This compound exhibits promising potential for the treatment of various diseases, including cancer, diabetes, and inflammatory disorders. Its unique structure and properties make it a valuable tool for drug discovery and development in the realm of biomedicine.
Synonyms
4-cyclohexylphenyl)boronic Acid; 4-Cyclohexylbenzeneboronic acid; BORONIC ACID, (4-CYCLOHEXYLPHENYL)-; 4-cyclohexylphenylboronicacid; 4-cyclohexyl-phenylboronic acid; 4-cyclohexyl phenyl-boronic acid; 4-cyclohexyl-phenyl boronic acid; 4-cyclohexyl-benzene boronic acid; 4-Cyclohexylbenzeneboronic acid; 4-Cyclohexylbenzeneboronic acid; 4-CYCLOHEXYLPHENYLBORONIC ACID
IUPAC Name
(4-cyclohexylphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)C2CCCCC2)(O)O
InChI
InChI=1S/C12H17BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,14-15H,1-5H2
InChI Key
KNQVRFYNQWNYPU-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
204.1321599 g/mol
Monoisotopic Mass
204.1321599 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
182
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-112961140-A | Naphthoquinone heterocyclic compound and application thereof | 2021-02-08 |
| CN-112778312-A | Organic material containing indoloquinazolinedione heterocyclic structure and application thereof | 2020-12-28 |
| CN-112592308-A | Novel organic compound and application thereof in OLED device | 2020-12-17 |
| CN-111875618-A | Compound with multi-heterocyclic structure and application thereof | 2020-07-31 |
| US-2020234798-A1 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | 2019-01-17 |
| WO-2020030925-A1 | Heterocyclic substituted ureas, for use against cancer | 2018-08-10 |
| CN-108774122-B | Method for synthesizing diaryl ketone compound by carbonylation taking chloroform as carbonyl source without participation of transition metal | 2018-08-10 |
| JP-2021525717-A | Therapeutic compounds | 2018-05-31 |
| TW-201938526-A | Light-emitting elements, display devices, electronic devices, organic compounds, and lighting devices | 2018-03-07 |
| CN-108148048-B | Compound with aza-benzene as core and application thereof in organic electroluminescent device | 2016-12-06 |
