(1-Methyl-2-oxo-1,2-dihydropyridin-4-yl)boronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.1351413-50-7

CAS: 1351413-50-7 Cat. No.: M587045 Peso molecular: 152.94 Número EC: 934-045-0

GRADE & PURITY ≥95%

Synonyms

(1-methyl-2-oxo-4-pyridyl)boronic acid | 1-Methyl-2-oxo-1,2-dihydro-4-pyridinylboronic acid | 1351413-50-7 | SB21299 | 1-methyl-2-oxo-1,2-dihydro-pyridine-4-boronic acid | 1-Methyl-2-oxo-1,2-dihydropyridine-4-boronic Acid | DS-8295 | SY109047 | QIFVXSLMFC

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(1-methyl-2-oxo-4-pyridyl)boronic acid | 1-Methyl-2-oxo-1, 2-dihydro-4-pyridinylboronic acid | 1351413-50-7 | SB21299 | 1-methyl-2-oxo-1, 2-dihydro-pyridine-4-boronic acid | 1-Methyl-2-oxo-1, 2-dihydropyridine-4-boronic Acid | DS-8295 | SY109047 | QIFVXSLMFC

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771911
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771911
• Sonrisas canónicas: B(C1=CC(=O)N(C=C1)C)(O)O
• IUPAC Name: (1-methyl-2-oxopyridin-4-yl)boronic acid
• InChIKey: QIFVXSLMFCRLCB-UHFFFAOYSA-N
• INCHI: 1S/C6H8BNO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4,10-11H,1H3
• Isómeros SMILES: B(C1=CC(=O)N(C=C1)C)(O)O
• CAS alternativo: 1351413-50-7
• Peso molecular: 152.94
• Reaxy-Rn: 22166621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22166621&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Dihydropyridines Heteroaromatic compounds Lactams Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Lactam - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 152.950 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.06 Da
• Monoisotopic Mass: 153.06 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3