3-chloro-4-ethoxyphenylboronic acid
Product Information
Molecular Formula
C8H10O3BCl
Molecular Weight
200.43
Description
3-Chloro-4-ethoxyphenylboronic acid is an indispensable compound employed in the biomedical sector and assumes a pivotal role in synthesizing pharmaceutical agents selectively addressing diverse morbidities, encompassing cancer, diabetes, and inflammation-induced afflictions. Owing to its distinctive configuration, it adeptly engages disease-specific molecular entities, rendering it an imperative instrument within the realm of pharmaceutical explorations and advancements.
Synonyms
AKOS BRN-0596; 3-CHLORO-4-ETHOXYPHENYLBORONIC ACID; 3-CHLORO-4-ETHOXYBENZENEBORONIC ACID; 3-CHLORO-4-ERHOXYPHENYLBONIC ACID; 3-Chloro-4-ethoxypheylboronic acid; 3-Chloro-4-Ethoxyphenylboronic
IUPAC Name
(3-chloro-4-ethoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)OCC)Cl)(O)O
InChI
InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
InChI Key
QZMQZKMQXURQNC-UHFFFAOYSA-N
Boiling Point
354.1°C at 760 mmHg
Melting Point
234-239°C
Purity
98%
Density
1.27 g/cm3
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
200.0411520 g/mol
Monoisotopic Mass
200.0411520 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
156
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 |
|---|---|---|
| US-2021139456-A1 | Pyridazine compounds for inhibiting nav1.8 | 2018-07-09 |
| WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| CA-3087807-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 2018-01-15 |
| EP-3740493-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 2018-01-15 |
| JP-2021510706-A | Indoleamine 2,3-dioxygenase and / or tryptophan 2,3-dioxygenase inhibitor | 2018-01-15 |
| EP-3740493-B1 | Inhibteurs de l'indoleamine 2,3-dioxygénase et/ou du tryptophane dioxygénase | 2018-01-15 |
| EP-2876109-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| KR-20140018795-A | Furan-containing fused ring compound or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
