Benzoic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
Product Information
Molecular Formula
C15H21 B O4
Molecular Weight
276.14
Description
Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is ethyl ester is a biomedical compound renowned for its multifaceted applications in combating a myriad of ailments and pathological anomalies. With its profound anti-inflammatory attributes and impressive antioxidant capabilities, this marvel of chemical innovation stands as an invaluable constituent within pharmaceutical arrangements devised to combat a panoply of inflammation-driven afflictions, including but not limited to rheumatoid arthritis and other besetting autoimmune disorders. Moreover, its propensity to assuage oxidative stress and regulate immune responses conveys auspicious propitiousness in harnessing therapeutic potentialities targetting select cancerous maladies, thereby amplifying its allure as an ideal candidate for incipient interventional strategies.
Synonyms
ETHYL 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE; 4-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER; Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,min.97%; 4-carboethoxyphenylboronic acid pinacol ester; Ethyl 4-(4,4,5,5-tetrameth
IUPAC Name
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C15H21BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
InChI Key
NCVIYKCFTYSAGN-UHFFFAOYSA-N
Boiling Point
330 °C (lit.)
Flash Point
Not applicable
Purity
96%
Density
1.052g/mLat25°C(lit.)
Appearance
Clear light yellow viscous liquid
Refractive Index
n20/D 1.5 (lit.)
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
276.1532893 g/mol
Monoisotopic Mass
276.1532893 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
343
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 |
|---|---|---|
| WO-2019145729-A1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 2018-01-25 |
| AU-2019213214-A1 | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 2018-01-25 |
| BR-112020013759-A2 | heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 2018-01-25 |
| CN-111655681-A | Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase | 2018-01-25 |
| EP-3743420-A1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 2018-01-25 |
| KR-20200113216-A | Heterocyclylamino-substituted triazole as a regulator of RHO-related protein kinase | 2018-01-25 |
| WO-2019145729-A9 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 2018-01-25 |
| US-2021038606-A1 | Modulators of Rho-associated Protein Kinase | 2018-01-25 |
| EP-3743420-B1 | Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase | 2018-01-25 |
| EA-039042-B1 | Ectonucleotidase inhibitors and methods of their application | 2017-09-08 |
