4-(tert-Butyldimethylsilyloxy)phenylboronic Acid - CAS 159191-56-7
Catalog: |
BB011504 |
Product Name: |
4-(tert-Butyldimethylsilyloxy)phenylboronic Acid |
CAS: |
159191-56-7 |
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 |
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. |
Molecular Weight: | 252.19 |
Molecular Formula: | C12H21O3BSi |
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 |
MDL: | MFCD03093888 |
LogP: | 1.75040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019211809-A1 | Chemiluminescent imidazopyrazinone-based photosensitizers with available singlet and triplet excited states | 20180504 |
EP-3788116-A1 | Chemiluminescent imidazopyrazinone-based photosensitizers with available singlet and triplet excited states | 20180504 |
AU-2018316620-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
AU-2018317828-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
AU-2018317836-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1353012 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1353012 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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