2-Formyl-3-thiopheneboronic acid - CAS 4347-31-3
Catalog: |
BB025414 |
Product Name: |
2-Formyl-3-thiopheneboronic acid |
CAS: |
4347-31-3 |
Synonyms: |
(2-formylthiophen-3-yl)boronic acid |
IUPAC Name: | (2-formylthiophen-3-yl)boronic acid |
Description: | 2-Formyl-3-thiopheneboronic acid can be used as: A substrate in the palladium-Tedicyp catalyzed Suzuki coupling reaction with different aryl bromides; A starting material for the synthesis of 4H-thieno[2,3-c]-isoquinolin-5-one derivatives as PARP-1 inhibitors; A starting material for the preparation of phenanthro-dithiophene moieties having field-effect transistor properties. Reactant for: Suzuki cross-coupling reactions; Preparation of boronic acid esters. |
Molecular Weight: | 155.97 |
Molecular Formula: | C5H5BO3S |
Canonical SMILES: | B(C1=C(SC=C1)C=O)(O)O |
InChI: | InChI=1S/C5H5BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3,8-9H |
InChI Key: | BBENFHSYKBYWJX-UHFFFAOYSA-N |
Boiling Point: | 396.7 °C at 760 mmHg |
Melting Point: | 167-193 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD01075678 |
LogP: | -0.75960 |
Publication Number | Title | Priority Date |
EP-3336075-A1 | Gold-catalyzed c-c cross-coupling of boron- and silicon-containing aryl compounds and aryldiazonium compounds by visible-light | 20161219 |
EP-3555029-A1 | Gold-catalyzed c-c cross-coupling of boron- and silicon-containing aryl compounds and aryldiazonium compounds by visible-light | 20161219 |
US-2020031731-A1 | Gold-Catalyzed C-C Cross-Coupling of Boron- and Silicon-Containing Aryl Compounds and Aryldiazonium Compounds by Visible-Light | 20161219 |
WO-2018114914-A1 | Gold-catalyzed c-c cross-coupling of boron- and silicon-containing aryl compounds and aryldiazonium compounds by visible-light | 20161219 |
US-10117948-B2 | Selective arylation of dichalcogenides in biomolecules | 20150619 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0052454 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0052454 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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