3-chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester
Product Information
Molecular Formula
C13H18BClO4
Molecular Weight
284.54
Description
3-Chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester is a versatile compound of paramount importance, finds its profound utility within the biomedical landscape, primarily serving as a quintessential agent facilitating the advancement of innovative pharmaceutical formulations. In the realm of therapeutic innovation, this remarkable compound ingeniously orchestrates the intricate synthesis of diverse pharmacotherapeutic agents directed against formidable afflictions encompassing malignant neoplasms, diabetes mellitus, and immune-mediated pathological processes.
Synonyms
2-Chloro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 3-CHLORO-4-HYDROXY-5-METHOXYPHENYLBORONIC ACID, PINACOL ESTER; 3-Chloro-4-hydroxy-5-methoxyphenylboronic acid pinacol ester; PHENOL, 2-CHLORO-6-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-; 3-Chloro-4-hydroxy-5-methoxyphenylboronic acid, pinacol ester; 3-Chloro-4-hydroxy-5-methoxyphenylboronicacid, pinacol ester
IUPAC Name
2-chloro-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)OC
InChI
InChI=1S/C13H18BClO4/c1-12(2)13(3,4)19-14(18-12)8-6-9(15)11(16)10(7-8)17-5/h6-7,16H,1-5H3
InChI Key
XBEJPOZGAPQFPL-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
284.0986669 g/mol
Monoisotopic Mass
284.0986669 g/mol
Topological Polar Surface Area
47.9Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
321
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 |
|---|---|---|
| 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 |
| US-2015191478-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| US-9493478-B2 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| WO-2014017803-A1 | Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same | 2012-07-23 |
| CA-2857346-A1 | 1,5-naphthyridine derivatives and melk inhibitors containing the same | 2012-01-19 |
| CA-2857346-C | 1,5-naphthyridine derivatives and melk inhibitors containing the same | 2012-01-19 |
| DK-2753329-T3 | 1,5-NAPHTHYRIDINE INGREDIENTS AS MILK INHIBITORS | 2012-01-19 |
| EP-2753329-B1 | 1,5-naphthyridine derivatives as melk inhibitors | 2012-01-19 |
| ES-2642720-T3 | 1,5-Naphthyridine derivatives as MELK inhibitors | 2012-01-19 |
