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

CAS: 53937-02-3 Cat. No.: B138962 Molecular Weight: 201.22 EC Number: 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

Overview

N-alkylation of 4-benzyloxy-2(1H)-pyridone with the corresponding benzyl halides has been reported.
4-Benzyloxy-2(1H)-pyridone may be used for the synthesis of novel 2-pyridone derivatives.It may be used for the alkylation of the pyridine nitrogen under mild and anhydrous conditions, via reaction with n-Bu4I and KOBu-t.

Specifications

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194471
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC=C(C=C1)COC2=CC(=O)NC=C2
• WGK Germany: 3
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

NR2E3 Tchem Photoreceptor-specific nuclear receptor (502 Activities)

Discover Target: NR2E3

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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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

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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

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

Discover Target: PPARG

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

Discover Target: NSD2

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 201-203 °C
• Molecular Weight: 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