Potassium 1-Boc-1H-indole-5-trifluoroborate
Product Information
Molecular Formula
C13H14BF3KNO2
Molecular Weight
323.16
Description
Potassium 1-Boc-1H-indole-5-trifluoroborate is a chemical compound extensively employed in the biomedical industry. It exhibits its indispensability and versatility across manifold applications. As a fundamental building block, it seamlessly integrates into the synthesis of pharmaceutical drugs and organic molecules, imparting immense value to drug discovery endeavors. Notably, its paramount significance arises from its potential in revolutionizing the treatment landscape of ailments encompassing cancer, neurological disorders, and infectious maladies.
Synonyms
Potassium (1-(tert-butoxycarbonyl)-1H-indol-5-yl)trifluoroborate; Potassium 1-Boc-1H-indole-5-trifluoroborate, 97%; Potassium [1-(tert-butoxycarbonyl)-1H-indol-5-yl](trifluoro)borate(1-); potassium {1-[(tert-butoxy)carbonyl]-1H-indol-5-yl}trifluoroboranuide
IUPAC Name
potassiumtrifluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]boranuide
SMILES
[B-](C1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C13H14BF3NO2.K/c1-13(2,3)20-12(19)18-7-6-9-8-10(14(15,16)17)4-5-11(9)18/h4-8H,1-3H3/q-1+1
InChI Key
WQXAJDXDSOGMRW-UHFFFAOYSA-N
Melting Point
190-195 °C
Flash Point
Not applicable
Purity
97%
Safety Information
Hazards
H302 + H332 - H315
Precautionary Statement
P301 + P312 + P330 - P302 + P352 - P304 + P340 + P312
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
323.0706748 g/mol
Monoisotopic Mass
323.0706748 g/mol
Topological Polar Surface Area
31.2Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
387
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
2
Compound Is Canonicalized
Yes
