4-Ethynylphenylboronic acid pinacol ester
Product Information
Molecular Formula
C14H17BO2
Molecular Weight
228.09
Description
4-Ethynylphenylboronic acid pinacol ester can be used:• For the functionalization of platinum nanoparticles to leverage their photoluminescence properties.• As an intermediate in the synthesis of covalent heterodyads of chlorophyll derivatives applicable as supramolecular light-harvesting systems.• As an intermediate in the preparation of F-18 radiolabeled galectin-3 inhibitors, which are used as surrogate positron emission tomography (PET) tracers of TD139 and GB1107.
Synonyms
2-(4-Ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(4-ethynylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#C
InChI
InChI=1S/C14H17BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h1,7-10H,2-5H3
InChI Key
LOVNTFMVZVIASV-UHFFFAOYSA-N
Melting Point
66-70 °C
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
228.1321599 g/mol
Monoisotopic Mass
228.1321599 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
315
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-2022056167-A1 | Functionalized Cyclic Polymers and Methods of Preparing Same | 2019-05-01 |
| EP-3625218-A1 | Process for hydrocyanation of terminal alkynes | 2017-05-17 |
| US-2020181068-A1 | Process for hydrocyanation of terminal alkynes | 2017-05-17 |
| WO-2018210631-A1 | Process for hydrocyanation of terminal alkynes | 2017-05-17 |
| US-10947186-B2 | Process for hydrocyanation of terminal alkynes | 2017-05-17 |
| CA-2750353-A1 | Method for manufacturing a boronic acid ester compound | 2009-03-24 |
| EP-2411398-A1 | Method for manufacturing a boronic acid ester compound | 2009-03-24 |
| EP-2411398-B1 | Method for manufacturing a boronic acid ester compound | 2009-03-24 |
| ES-2527046-T3 | Method for the preparation of a boronic acid ester compound | 2009-03-24 |
| JP-2012521420-A | Method for producing boronic acid ester compound | 2009-03-24 |
