4-(tert-Butyldimethylsilyloxy)phenylboronic Acid

Product Information

Molecular Formula:
C12H21O3BSi
Molecular Weight:
252.19
Description
Reactant involved in: Asymmetric addition reactions with β-substituted cyclic enones; Hydroarylation and heterocyclization with phenylpropiolates; Double Suzuki-Miyaura coupling reactionsStarting material for the synthesis of red electroluminescent polyfluorenes. Reactant involved in the synthesis of biologically active molecules including: Phenylpyridone derivatives as MCH1R antagonists; Atromentin and its O-alkylated derivatives; Gelatinases and MT1-MMP inhibitors.
Synonyms
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid; [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
IUPAC Name
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)(O)O
InChI
InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
InChI Key
NVHHEADQQACSCJ-UHFFFAOYSA-N
Boiling Point
321.4 °C at 760 mmHg
Melting Point
194-198 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.01 g/cm3
LogP
1.75040

Safety Information

Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
252.1353012 g/mol
Monoisotopic Mass
252.1353012 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
243
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
WO-2019211809-A1 Chemiluminescent imidazopyrazinone-based photosensitizers with available singlet and triplet excited states 2018-05-04
EP-3788116-A1 Chemiluminescent imidazopyrazinone-based photosensitizers with available singlet and triplet excited states 2018-05-04
AU-2018316620-A1 Macrocyclic MCL-1 inhibitors and methods of use 2017-08-15
AU-2018317828-A1 Macrocyclic MCL-1 inhibitors and methods of use 2017-08-15
AU-2018317836-A1 Macrocyclic MCL-1 inhibitors and methods of use 2017-08-15
CA-3073108-A1 Macrocyclic mcl-1 inhibitors and methods of use 2017-08-15
CA-3073112-A1 Macrocyclic mcl-1 inhibitors and methods of use 2017-08-15
EP-3652184-A1 Macrocyclic mcl-1 inhibitors and methods of use 2017-08-15
KR-20200041942-A Macrocyclic MCL-1 inhibitors and uses thereof 2017-08-15
TW-201920193-A Macrocyclic MEL-1 inhibitor and method of use 2017-08-15
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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