2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene
Product Information
Molecular Formula
C10H15BO2S
Molecular Weight
210.10
Description
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene is a boron compound that plays a crucial role in the pharmaceutical industry. It's primarily used as a reactant in Suzuki-Miyaura cross-coupling reactions, a valuable tool in the creation of cancer-treating drugs.
Synonyms
2-thiopheneboronic acid pinacol ester; Thiophene-2-boronic acid pinacol ester; 4,4,5,5-tetramethyl-2-(thiophen-2-yl)-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(2-thienyl)-1,3,2-dioxaborolane; 2-(Thiopheneboronic acid)pinacol ester; 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane; thiophene-2-boronic acid, pinacol ester; 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene; 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-thienyl)-
IUPAC Name
4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2
InChI
InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3
InChI Key
FFZHICFAHSDFKZ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
210.0885811 g/mol
Monoisotopic Mass
210.0885811 g/mol
Topological Polar Surface Area
46.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
214
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-113563362-A | A-D-D' -A type asymmetric organic photovoltaic receptor material and application thereof | 2021-07-21 |
| CN-112979611-A | Bowl alkenyl perovskite solar cell hole transport layer material and preparation method and application thereof | 2021-02-07 |
| CN-112745284-A | Natural chalcone derivative and preparation method and application thereof | 2020-12-28 |
| CN-112250718-A | Photoelectric dual-response mercury ion probe and preparation method and application thereof | 2020-08-20 |
| CN-111793065-A | Spirocyclic aromatic organic conjugated micromolecular thermoelectric material and preparation and application thereof | 2020-07-31 |
| CN-111793065-B | Spirocyclic aromatic organic conjugated micromolecular thermoelectric material and preparation and application thereof | 2020-07-31 |
| CN-113929688-A | Pyrazolopyrimidine compounds as ATR kinase inhibitors | 2020-07-13 |
| WO-2022012484-A1 | Pyrazolopyrimidine compound used as atr kinase inhibitor | 2020-07-13 |
| CN-111285859-A | 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof | 2020-04-02 |
| CN-111285859-B | 2,4, 5-trisubstituted pyrimidine compounds with HIV-1 reverse transcriptase as target, and preparation method and application thereof | 2020-04-02 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22199981 | 2011-12-01 | 2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane) | Acta crystallographica. Section E, Structure reports online |
