4'-(Methylsulfonyl)acetophenone - ≥98%(GC) , CAS No.10297-73-1

CAS: 10297-73-1 Cat. No.: M158448 Summenformel: C₉H₁₀O₃S Molekulargewicht: 198.24 EG-Nummer: 233-672-0

GRADE & PURITY ≥98%(GC)

Synonyms

1-[4-(methylsulfonyl)phenyl]ethan-1-one | Ethanone, 1-[4-(methylsulfonyl)phenyl]- | 9W-0290 | MFCD00025072 | 1-[4-(Methylsulfonyl)phenyl]ethanone | SCHEMBL28229 | 1-(4-(Methylsulfonyl)phenyl)ethanone | 1-(4-(METHYLSULFONYL)PHENYL)-ETHANONE | 1-(4-methanes

Storage

Room temperature

Shipped In

Normal

Übersicht

4′-(Methylsulfonyl)acetophenone may be used in the synthesis of: . 3-(4-Methylsulfonylphenyl)-4-phenyl-2(5H)-furanone with potent apoptosis-inducing ability. . Bromo-4-methylsulfonylacetophenone, an intermediate for preparing DL-threo-2-dichloroacetamido-1-(4-methylsulfonylphenyl)-1,3-propanediol. . 1-N-Substituted-3,5-diphenyl-2-pyrazoline derivatives, which show promising anti-inflammatory activity.

Specifications

Synonyme

1-[4-(methylsulfonyl)phenyl]ethan-1-one | Ethanone, 1-[4-(methylsulfonyl)phenyl]- | 9W-0290 | MFCD00025072 | 1-[4-(Methylsulfonyl)phenyl]ethanone | SCHEMBL28229 | 1-(4-(Methylsulfonyl)phenyl)ethanone | 1-(4-(METHYLSULFONYL)PHENYL)-ETHANONE | 1-(4-methanes

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504755611

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755611

Kanonisches Lächeln

CC(=O)C1=CC=C(C=C1)S(=O)(=O)C

IUPAC Name

1-(4-methylsulfonylphenyl)ethanone

InChIKey

KAVZYDHKJNABPC-UHFFFAOYSA-N

INCHI

1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3

Isomere SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)C

WGK Deutschland

3

Molekulargewicht

198.24

Reaxy-Rn

2047891

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047891&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: Benzenesulfonyl compounds Acetophenones Benzoyl derivatives Aryl alkyl ketones Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzenesulfonyl group - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Sulfone - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 126-129°C
• Molekulargewicht: 198.240 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.035 Da
• Monoisotopic Mass: 198.035 Da
• Topological Polar Surface Area: 59.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 278.000
• 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