3′-Benzyloxy Propiophenone - ≥98% , CAS No.37951-47-6

CAS: 37951-47-6 Cat. No.: B345248 Summenformel: C₁₆H₁₆O₂ Molekulargewicht: 240.3 EG-Nummer: 865-997-4

GRADE & PURITY ≥98%

Synonyms

MFCD18379207 | JSKCFWWAJLLROT-UHFFFAOYSA-N | BS-28033 | FT-0663010 | 3'-Benzyloxypropionphenone | 1-(3-(Benzyloxy)phenyl)propan-1-one | DTXSID90596841 | 1-(3-phenylmethoxyphenyl)propan-1-one | 1-(3-Benzyloxy-phenyl)-propan-1-one | 1-[3-(BENZYLOXY)PHENYL]P

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

3'-Benzyloxy Propiophenone is an intermediate used in the production of various ectoparasiticides, drug metabolites and analgesic agents.

application：

An intermediate used in the production of various ectoparasiticides, drug metabolites and analgesic agents.

Specifications

Synonyme

MFCD18379207 | JSKCFWWAJLLROT-UHFFFAOYSA-N | BS-28033 | FT-0663010 | 3'-Benzyloxypropionphenone | 1-(3-(Benzyloxy)phenyl)propan-1-one | DTXSID90596841 | 1-(3-phenylmethoxyphenyl)propan-1-one | 1-(3-Benzyloxy-phenyl)-propan-1-one | 1-[3-(BENZYLOXY)PHENYL]P

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504768793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768793
• Kanonisches Lächeln: CCC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
• IUPAC Name: 1-(3-phenylmethoxyphenyl)propan-1-one
• InChIKey: JSKCFWWAJLLROT-UHFFFAOYSA-N
• INCHI: 1S/C16H16O2/c1-2-16(17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
• Isomere SMILES: CCC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
• Molekulargewicht: 240.3
• Reaxy-Rn: 1245605
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1245605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol, ethyl acetate, dichloromethane, and chloroform.
• Molekulargewicht: 240.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115 Da
• Monoisotopic Mass: 240.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 256.000
• 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