2-Hydroxyphenylboronic acid pinacol ester
Product Information
Molecular Formula
C12H17BO3
Molecular Weight
220.07
Description
Reactant involved in:• Synthesis of indolo-fused heterocyclic inhibitors of polymerase enzyme of hepatitis C• Studies of pi-interactions, electronic structure and transient UV absorption of subphthalocyanine-borate-bridged ferrocene-fullerene conjugates• Synthesis of subphthalocyanine and fused-ring nicotine derivatives• Suzuki-Miyaura coupling-triflation sequence, reduction and salt formation for synthesis of hydroxylated oligoarene phosphines
Widely used in Suzuki coupling chemistry.
Widely used in Suzuki coupling chemistry.
Synonyms
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2O
InChI
InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3
InChI Key
VLROJECCXBBKPZ-UHFFFAOYSA-N
Boiling Point
282 °C (lit.)
Flash Point
Not applicable
Purity
98%
Density
1.05 g/mL at 25 °C (lit.)
Refractive Index
n20/D 1.506 (lit.)
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
220.1270746 g/mol
Monoisotopic Mass
220.1270746 g/mol
Topological Polar Surface Area
38.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
249
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-114057771-A | Macrocyclic compound and preparation method and application thereof | 2020-12-03 |
| WO-2022051583-A1 | Medium- or macro-cyclic benzyl-substituted heterocycle derivatives and their uses as orexin-2 receptor agonists | 2020-09-03 |
| WO-2022011123-A1 | Macrocycles and their use | 2020-07-10 |
| WO-2021213836-A1 | Post-metallocene compounds | 2020-04-24 |
| KR-20210113802-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 2020-03-09 |
| WO-2021147882-A1 | Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof | 2020-01-21 |
| WO-2020251974-A1 | Smarca inhibitors and uses thereof | 2019-06-10 |
| WO-2020210761-A1 | Boron-containing cyclic emissive compounds and color conversion film containing the same | 2019-04-12 |
| TW-202102647-A | Boron-containing cyclic emissive compounds and color conversion film containing the same | 2019-04-12 |
| CN-113748184-A | Boron-containing cyclic light-emitting compound and color conversion film containing the same | 2019-04-12 |
