(E)-3-(tert-Butyldimethylsilyloxy)propene-1-yl-boronic acid pinacol ester

Product Information

Molecular Formula:
C15H31BO3Si
Molecular Weight:
298.30
Description
(E)-3-(tert-Butyldimethylsilyloxy)propene-1-yl-boronic acid pinacol ester can be used as a reactant in: • Palladium-catalyzed Suzuki-Miyaura coupling reaction.• The synthesis of anti-homoallylic alcohols by allylation reaction with aldehydes in the presence of iridium complex-catalyst.• The preparation of α-imino aldehydes.
Synonyms
(E)-2-[3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-propenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-[(1E)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-propenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,tert-Butyldimethyl[[(2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy]silane
IUPAC Name
tert-butyl-dimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoxy]silane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C=CCO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C15H31BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-11H,12H2,1-9H3/b11-10+
InChI Key
LUURLZJMKOVITO-ZHACJKMWSA-N
Flash Point
Not applicable
Purity
97%
Density
0.910 g/mL at 25 °C

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
298.2135515 g/mol
Monoisotopic Mass
298.2135515 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
354
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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WO-2021018858-A1 6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer 2019-07-29
WO-2020138015-A1 Pyrazolo[1,5-a]pyrimidine macrocyclic compound 2018-12-27
EP-3903788-A1 Pyrazolo[1,5-a]pyrimidine macrocyclic compound 2018-12-27
WO-2019217972-A1 Kdm1a inhibitors for the treatment of disease 2018-05-11
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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