4-Ethoxy-2-methylphenylboronic acid
Product Information
Molecular Formula
C9H13O3B
Molecular Weight
180.01
Description
4-Ethoxy-2-methylphenylboronic acid is a compound of utmost importance in the biomedical sector and showcases a promising potential as a drug candidate in tackling specific maladies. Owning a boronic acid moiety, it emerges as a pivotal mediator in fabricating diverse pharmaceutical entities that selectively focus on distinct molecular elements or receptors implicated in pathological progressions. Its multifarious utilities render it an indispensable apparatus for scientific investigators and pharmaceutical corporations engrossed in unraveling novel curatives and propelling therapeutic innovation.
Synonyms
4-Ethoxy-2-methylbenzeneboronic acid 98%; 5-Ethoxytoluene-2-boronic acid
IUPAC Name
(4-ethoxy-2-methylphenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1)OCC)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
InChI Key
MBEQXBKSJCOKJF-UHFFFAOYSA-N
Boiling Point
338.3°C at 760mmHg
Melting Point
163-168°C(lit.)
Purity
97%
Density
1.11g/cm3
Storage
Keep Cold
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
180.0957744 g/mol
Monoisotopic Mass
180.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
152
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 |
|---|---|---|
| CA-2943363-A1 | Anti-fibrotic pyridinones | 2014-04-02 |
| EP-3126362-A1 | Anti-fibrotic pyridinones | 2014-04-02 |
| JP-2017512784-A | Antifibrotic pyridinone | 2014-04-02 |
| JP-2019070047-A | Antifibrotic pyridinone | 2014-04-02 |
| JP-6525437-B2 | Antifibrotic pyridinone | 2014-04-02 |
| KR-20160138289-A | Anti-fibrotic pyridinones | 2014-04-02 |
| RU-2692485-C2 | Antifibrous pyridinones | 2014-04-02 |
| US-10233195-B2 | Anti-fibrotic pyridinones | 2014-04-02 |
| US-10544161-B2 | Anti-fibrotic pyridinones | 2014-04-02 |
| US-2017121345-A1 | Anti-fibrotic pyridinones | 2014-04-02 |
