8-Benzyloxy-5-((R)-2-bromo-1-hydroxyethyl)-1H-quinolinone - ≥97% , CAS No.530084-79-8

CAS: 530084-79-8 Cat. No.: B335103 Peso molecular: 374.24 Número EC: 610-932-5

GRADE & PURITY ≥97%

Synonyms

MFCD20484048 | DS-17826 | C18H16BrNO3 | GNFMSZCSSUZAGV-HNNXBMFYSA-N | SCHEMBL99134 | 5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one | (R)-8-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)-quinolin-2(1H)-one | (R)-8-(Benzyloxy)-5-(2-bromo-1-hydro

Storage

Room temperature

Shipped In

Normal

Descripción general

8-Benzyloxy-5-((R)-2-bromo-1-hydroxyethyl)-1H-quinolinone is a chemical used in the preparation of phenylethanolamine derivatives as adrenoreceptor agonists.

Specifications

Sinónimos

MFCD20484048 | DS-17826 | C18H16BrNO3 | GNFMSZCSSUZAGV-HNNXBMFYSA-N | SCHEMBL99134 | 5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one | (R)-8-(Benzyloxy)-5-(2-bromo-1-hydroxyethyl)-quinolin-2(1H)-one | (R)-8-(Benzyloxy)-5-(2-bromo-1-hydro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766526
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766526
• Sonrisas canónicas: C1=CC=C(C=C1)COC2=C3C(=C(C=C2)C(CBr)O)C=CC(=O)N3
• IUPAC Name: 5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
• InChIKey: GNFMSZCSSUZAGV-HNNXBMFYSA-N
• INCHI: 1S/C18H16BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,20,22)/t15-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC2=C3C(=C(C=C2)[C@H](CBr)O)C=CC(=O)N3
• Peso molecular: 374.24
• Reaxy-Rn: 14245744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14245744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Phenol ethers Alkyl aryl ethers Pyridinones Benzene and substituted derivatives Heteroaromatic compounds Lactams Bromohydrins Secondary alcohols Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols Alkyl bromides Organobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Phenol ether - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Bromohydrin - Halohydrin - Secondary alcohol - Lactam - Ether - Azacycle - Organohalogen compound - Organooxygen compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• 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: 374.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 373.031 Da
• Monoisotopic Mass: 373.031 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 436.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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