1-(Triisopropylsilyl)pyrrole-3-boronic acid
Product Information
Molecular Formula
C13H26BNO2Si
Molecular Weight
267.25
Description
1-(Triisopropylsilyl)pyrrole-3-boronic acid is a specialized compound utilized in the synthesis of pharmaceutical drugs, particularly those targeting neurological and psychiatric disorders. It contributes significantly to the creation of advanced molecules in neuropharmacology.
Synonyms
(1-(Triisopropylsilyl)-1H-pyrrol-3-yl)boronic acid; [1-[tris(1-Methylethyl)silyl]-1H-pyrrol-3-yl]-boronic acid
IUPAC Name
[1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid
SMILES
B(C1=CN(C=C1)[Si](C(C)C)(C(C)C)C(C)C)(O)O
InChI
InChI=1S/C13H26BNO2Si/c1-10(2)18(11(3)4,12(5)6)15-8-7-13(9-15)14(16)17/h7-12,16-17H,1-6H3
InChI Key
HUBVAOMVEMGRFA-UHFFFAOYAB
Boiling Point
337.9±34.0 °C (Predicted)
Flash Point
Not applicable
Purity
98%
Density
0.96±0.1 g/cm3 (Predicted)
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
267.1825858 g/mol
Monoisotopic Mass
267.1825858 g/mol
Topological Polar Surface Area
45.4Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
250
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-2021253556-A1 | Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof | 2020-02-04 |
| WO-2021158829-A1 | Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof | 2020-02-04 |
| CN-111320624-A | Triazolopyridine and imidazopyridine compounds, and preparation method and medical application thereof | 2018-12-14 |
| US-2020190091-A1 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | 2017-09-01 |
| WO-2019042409-A1 | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application thereof | 2017-09-01 |
| EP-3677583-A1 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | 2017-09-01 |
| JP-2020531553-A | Nitrogen-containing heterocyclic compounds, manufacturing methods, intermediates, compositions and uses | 2017-09-01 |
| CN-110914242-A | Propionic acid derivatives and methods of use thereof | 2017-04-26 |
| US-2018312523-A1 | Propionic Acid Derivatives and Methods of Use Thereof | 2017-04-26 |
| US-10875875-B2 | Propionic acid derivatives and methods of use thereof | 2017-04-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5780 | 1976-01-01 | Microbial interactions in foods: meats, poultry and dairy products | Society for Applied Bacteriology symposium series |
