2-Chloropyridine-3-boronic Acid - CAS 381248-04-0
Catalog: |
BB023542 |
Product Name: |
2-Chloropyridine-3-boronic Acid |
CAS: |
381248-04-0 |
Synonyms: |
(2-chloro-3-pyridinyl)boronic acid; (2-chloropyridin-3-yl)boronic acid |
IUPAC Name: | (2-chloropyridin-3-yl)boronic acid |
Description: | Reactant for: Synthesis of Et canthinone-3-carboxylates from Et 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate via a Pd-catalyzed Suzuki-Miyaura coupling and a Cu-catalyzed amidation reaction; Preparation of arylmethylpyrrolidinylmethanols and amine derivatives via reaction with MIDA followed by Suzuki reaction with halides or amination with amines; Preparation of arylazabicyclooctane derivatives as potential arginine vasopressin receptor antagonists; Regioselective preparation of halo-oligopyridines and oligopyridines by the Suzuki-Miyaura cross-coupling reaction May contain varying amounts of anhydride. |
Molecular Weight: | 157.36 |
Molecular Formula: | C5H5ClNO2B |
Canonical SMILES: | B(C1=C(N=CC=C1)Cl)(O)O |
InChI: | InChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H |
InChI Key: | VRDAOVQZVXYRNH-UHFFFAOYSA-N |
Boiling Point: | 349.3 °C at 760 mmHg |
Melting Point: | 121-134 °C |
Flash Point: | Not applicable |
Density: | 1.41 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD03094997 |
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-113480576-A | Metal complex, organic electroluminescent element and consumer product | 20210707 |
US-2021167321-A1 | Inorganic light emitting diode and inorganic light emitting device including the same | 20191128 |
WO-2020161623-A1 | N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease | 20190206 |
CN-113423702-A | N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use in the treatment of disease | 20190206 |
WO-2020128925-A1 | Macrocyclic compounds and their use in the treatment of disease | 20181221 |
PMID | Publication Date | Title | Journal |
21655328 | 20110101 | Design, synthesis, and characterization of a highly effective Hog1 inhibitor: a powerful tool for analyzing MAP kinase signaling in yeast | PloS one |
20337440 | 20100422 | A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters | The journal of physical chemistry. A |
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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