3',5'-Dibenzyloxyacetophenone - ≥97% , CAS No.28924-21-2

CAS: 28924-21-2 Cat. No.: D405575 Formule: C₂₂H₂₀O₃ Poids moléculaire: 332.4 Numéro CE: 249-315-7

GRADE & PURITY ≥97%

Synonyms

1-[3,5-Bis(benzyloxy)phenyl]ethanone | 3',5'-Bis(benzyloxy)acetophenone | 3,5-Bis(benzyloxy)acetophenone | 3',5'-Dibenzyloxyacetophenone | 3,5-Dibenzyloxyacetophenone | AKOS015889876 | AC-23594 | W-107020 | SY013989 | D07871 | FT-0638820 | UNII-K8HQL6DG8R

Storage

Room temperature

Vue d’ensemble

Application：

3,5-Dibenzyloxyacetophenone was used in the synthesis of enantiomerically pure B-ring modified analogs of (−)-epicatechin gallate.

Specifications

Synonymes

1-[3,5-Bis(benzyloxy)phenyl]ethanone | 3',5'-Bis(benzyloxy)acetophenone | 3,5-Bis(benzyloxy)acetophenone | 3',5'-Dibenzyloxyacetophenone | 3,5-Dibenzyloxyacetophenone | AKOS015889876 | AC-23594 | W-107020 | SY013989 | D07871 | FT-0638820 | UNII-K8HQL6DG8R

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488187630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187630
• Sourires canoniques: CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
• IUPAC Name: 1-[3,5-bis(phenylmethoxy)phenyl]ethanone
• InChIKey: KOJXGMJOTRYLBD-UHFFFAOYSA-N
• INCHI: 1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
• Isomères SMILES: CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
• Poids moléculaire: 332.4
• Reaxy-Rn: 2059523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2059523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Propriétés chimiques et physiques

• Point de fusion (°C): 62 °C
• Poids moléculaire: 332.400 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 332.141 Da
• Monoisotopic Mass: 332.141 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 366.000
• 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