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

CAS: 37951-47-6 Cat. No.: B345248 Molecular Weight: 240.3 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768793
• Canonical Smiles: 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
• Isomeric SMILES: CCC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• 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

Chemical and Physical Properties

• Solubility: Soluble in methanol, ethyl acetate, dichloromethane, and chloroform.
• Molecular Weight: 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