4-(Trifluoromethoxy)phenylboronic acid pinacol ester
Product Information
Molecular Formula
C13H16BF3O3
Molecular Weight
288.07
Description
4-(Trifluoromethoxy)phenylboronic acid pinacol ester is a chemical compound used in biomedical research. It acts as a reagent in the synthesis of various drugs targeting diseases like cancer, diabetes, and inflammation. Its unique structure allows for efficient coupling reactions, making it valuable in medicinal chemistry. Its high purity and stability make it an ideal choice for pharmaceutical research and development.
Synonyms
4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-7-10(8-6-9)18-13(15,16)17/h5-8H,1-4H3
InChI Key
ZSFXWWRILASQRI-UHFFFAOYSA-N
Melting Point
60-65 °C
Purity
97%
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
288.1144590 g/mol
Monoisotopic Mass
288.1144590 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
333
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-112341390-A | Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof | 2019-08-07 |
| US-2020206216-A1 | Inhibitors of fibroblast activation protein | 2018-12-21 |
| CN-113811529-A | Fibroblast activation protein inhibitor | 2018-12-21 |
| JP-2022514352-A | Inhibitor of fibroblast-activated protein | 2018-12-21 |
| CN-110903289-A | Purine-aminomethyl-pyridone derivative, preparation method and application thereof | 2018-09-14 |
| WO-2015143142-A1 | Antifungal compound process | 2014-03-19 |
| DE-102013020566-A1 | Liquid crystalline medium | 2012-12-20 |
| EP-2935514-B1 | Liquid crystal medium | 2012-12-20 |
| US-2015315472-A1 | Liquid-crystalline medium | 2012-12-20 |
| US-9376622-B2 | Liquid-crystalline medium | 2012-12-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4893 | 1975-11-01 | Clinical experience with beta-blockers in consultant psychiatric practice | Scottish medical journal |
