Allyl phenyl sulfone - purum, ≥98%(GC) , CAS No.16212-05-8

CAS: 16212-05-8 Cat. No.: A475742 Peso molecular: 182.24 Beilstein Registry Number: 1863560 Número EC: 240-338-8

GRADE & PURITY ≥98%(GC)

Synonyms

(prop-2-ene-1-sulfonyl)benzene | MFCD00014739 | 37KT5U3YH4 | (Allylsulfonyl)benzene | allylphenylsulfone | Benzene, (2-propenylsulfonyl)- | glucuronate-1-P | N-Acetyl-b-glucosaminylamine | Allylphenyl sulfone | 4-06-00-01480 (Beilstein Handbook Reference)

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

Possible usages of allyl phenyl sulfone:It can undergo isomerization by the nonionic proazaphosphatrane catalysts under mild reaction conditions.It can react with epoxymesylate to give cycloalkane derivative. This method has been employed in the synthesis of marine eicosanoid bacillariolides I-III.It can undergo electrocatalytic additions to vinyl sulfones catalyzed by an electrogenerated base.Starting material for the preparation of 1-alkyl-2-methylethenes; Michael additions to enones; Synthesis of α,β-unsaturated nitriles

Specifications

Sinónimos

(prop-2-ene-1-sulfonyl)benzene | MFCD00014739 | 37KT5U3YH4 | (Allylsulfonyl)benzene | allylphenylsulfone | Benzene, (2-propenylsulfonyl)- | glucuronate-1-P | N-Acetyl-b-glucosaminylamine | Allylphenyl sulfone | 4-06-00-01480 (Beilstein Handbook Reference)

Especificaciones y pureza

purum, ≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C=CCS(=O)(=O)C1=CC=CC=C1
• IUPAC Name: prop-2-enylsulfonylbenzene
• InChIKey: KYPIULIVYSQNNT-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
• Isómeros SMILES: C=CCS(=O)(=O)C1=CC=CC=C1
• WGK Alemania: 3
• RTECS: WR2400000
• Peso molecular: 182.24
• Beilstein: 1863560
• Reaxy-Rn: 1863561
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1863561&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfones Allyl sulfur compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Allyl sulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

• Índice de refracción: 1.55
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 128°C/0.9mmHg(lit.)
• Peso molecular: 182.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.04 Da
• Monoisotopic Mass: 182.04 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 230.000
• 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