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)pyrrole-3-boronic acid; (1-(Triisopropylsilyl)-1H-pyrrol-3-yl)boronic acid; [1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid; {1-[tris(propan-2-yl)silyl]-1H-pyrrol-3-yl}boronic acid; 1-(TRIISOPROPYLSILYL)-1H-PYRROLE-3-BORONIC ACID; 1-(triisopropylsilyl)-1H-pyrrol-3-ylboronic acid; [1-(triisopropylsilyl)-1H-pyrrol-3-yl]boronic acid; MFCD01114667; 1-(TRIISOPROPYLSILYL)-1H-PYRROL-3-YL-3-BORONIC ACID; (1-triisopropylsilylpyrrol-3-yl)boronic acid; 3-Borono-1-[tris(isopropyl)silyl]-1H-pyrrole
IUPAC Name
[1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid
Canonical 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-UHFFFAOYSA-N
Flash Point
Not applicable

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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