4-Benciloxi-2(1H)-piridona - ≥98% , CAS No.53937-02-3

CAS: 53937-02-3 Cat. No.: B138962 Peso molecular: 201.22 Número EC: 628-287-3

GRADE & PURITY ≥98%

Synonyms

4-BENZYLOXY-2-HYDROXYPYRIDINE | FT-0648265 | 4-benzyloxy-pyridin-2-ol | A7835 | 4-benzyloxypyridone | 4-Benzyloxypyridin-2-one | SY013119 | 4-(ben4-Benzyloxy-2-(1H)-pyridonezyloxy)pyridin-2(1H)-one;4-Benzyloxy-2-hydroxypyridine | 4-Benzyloxy-2-(1H)-pyrido

Storage

Room temperature

Shipped In

Normal

Descripción general

Se ha descrito la N-alquilación de la 4-benciloxi-2(1H)-piridona con los haluros de bencilo correspondientes.
la 4-benciloxi-2(1H)-piridona puede utilizarse para la síntesis de nuevos derivados de 2-piridona, para la alquilación del nitrógeno de piridina en condiciones suaves y anhidras, mediante reacción con n-Bu4I y KOBu-t.

Specifications

Sinónimos

4-BENZYLOXY-2-HYDROXYPYRIDINE | FT-0648265 | 4-benzyloxy-pyridin-2-ol | A7835 | 4-benzyloxypyridone | 4-Benzyloxypyridin-2-one | SY013119 | 4-(ben4-Benzyloxy-2-(1H)-pyridonezyloxy)pyridin-2(1H)-one;4-Benzyloxy-2-hydroxypyridine | 4-Benzyloxy-2-(1H)-pyrido

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488194471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194471
• Sonrisas canónicas: C1=CC=C(C=C1)COC2=CC(=O)NC=C2
• IUPAC Name: 4-phenylmethoxy-1H-pyridin-2-one
• InChIKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
• Isómeros SMILES: C1=CC=C(C=C1)COC2=CC(=O)NC=C2
• WGK Alemania: 3
• Peso molecular: 201.22
• Reaxy-Rn: 1530976
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1530976&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 Alkyl aryl ethers Benzene and substituted derivatives Vinylogous esters Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Dihydropyridine - Pyridinone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Lactam - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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

Objetivos asociados (humanos)

NR2E3 Tchem Photoreceptor-specific nuclear receptor (502 Activities)

Discover Target: NR2E3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 (239 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NSD2 Tchem Histone-lysine N-methyltransferase NSD2 (803 Activities)

Discover Target: NSD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 201-203 °C
• Peso molecular: 201.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.079 Da
• Monoisotopic Mass: 201.079 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 288.000
• 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