2-Methoxy-5-pyridinylboronic Acid - CAS 163105-89-3
Catalog: |
BB011942 |
Product Name: |
2-Methoxy-5-pyridinylboronic Acid |
CAS: |
163105-89-3 |
Synonyms: |
(6-methoxy-3-pyridinyl)boronic acid; (6-methoxypyridin-3-yl)boronic acid |
IUPAC Name: | (6-methoxypyridin-3-yl)boronic acid |
Description: | 2-Methoxy-5-pyridinylboronic Acid (CAS# 163105-89-3) is used in the synthesis of indole-derived protease-activated receptor 4 antagonists in the treatment of thrombotic disorders. |
Molecular Weight: | 152.94 |
Molecular Formula: | C6H8NO3B |
Canonical SMILES: | B(C1=CN=C(C=C1)OC)(O)O |
InChI: | InChI=1S/C6H8BNO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3 |
InChI Key: | DHADXDMPEUWEAS-UHFFFAOYSA-N |
Boiling Point: | 313.2 °C at 760 mmHg |
Melting Point: | 135-140 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.24 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD02093044 |
LogP: | -1.23000 |
GHS Hazard Statement: | H302 (22.22%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112778294-A | 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor | 20210107 |
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WO-2021185298-A1 | Egfr tyrosine kinase inhibitor and use thereof | 20200318 |
PMID | Publication Date | Title | Journal |
15624958 | 20050107 | Palladium-catalyzed cross-coupling reactions of pyridylboronic acids with heteroaryl halides bearing a primary amine group: synthesis of highly substituted bipyridines and pyrazinopyridines | The Journal of organic chemistry |
15007413 | 20040321 | 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions | Organic & biomolecular chemistry |
12375993 | 20021018 | Functionalized pyridylboronic acids and their Suzuki cross-coupling reactions to yield novel heteroarylpyridines | The Journal of organic chemistry |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0597233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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