2-Chloro-5-pyridylboronic Acid - CAS 444120-91-6
Catalog: |
BB025600 |
Product Name: |
2-Chloro-5-pyridylboronic Acid |
CAS: |
444120-91-6 |
Synonyms: |
(6-chloro-3-pyridinyl)boronic acid; (6-chloropyridin-3-yl)boronic acid |
IUPAC Name: | (6-chloropyridin-3-yl)boronic acid |
Description: | 6-Chloro-3-pyridinylboronic acid can be used: To prepare biologically significant 3-arylcoumarins by reacting with 3-chlorocoumarin through Suzuki reaction; As a substrate in the synthesis of 11-(pyridinylphenyl)steroid with progesterone agonist/antagonist profile; As a substrate in the preparation of α- secondary and tertiary pyridines by the reaction of pyridotriazoles with boronic acids; As a substrate in the palladium-catalyzed α-arylation of saturated cyclic amines and N-methyl amines. |
Molecular Weight: | 157.36 |
Molecular Formula: | C5H5ClNO2B |
Canonical SMILES: | B(C1=CN=C(C=C1)Cl)(O)O |
InChI: | InChI=1S/C5H5BClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H |
InChI Key: | WPAPNCXMYWRTTL-UHFFFAOYSA-N |
Boiling Point: | 336.9 °C at 760 mmHg |
Melting Point: | 165 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD03094998 |
LogP: | -0.58520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961147-A | Nitrogen-containing compound and organic electroluminescent device thereof | 20210209 |
CN-112687878-A | Electrochemical device and electronic device | 20201225 |
CN-112552296-A | Fluorescent polymer and application thereof in oil tank soil leakage monitoring | 20201130 |
WO-2021210970-A1 | Pyridopyrimidinone derivatives and their use as aryl hydrocarbon receptor modulators | 20200417 |
WO-2021188944-A1 | Phd inhibitor compounds, compositions, and their use | 20200320 |
PMID | Publication Date | Title | Journal |
12375993 | 20021018 | Functionalized pyridylboronic acids and their Suzuki cross-coupling reactions to yield novel heteroarylpyridines | The Journal of organic chemistry |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0101863 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0101863 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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