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

CAS: 16212-05-8 Cat. No.: A475742 Formula: C₉H₁₀O₂S Peso molecolare: 182.24 Beilstein Registry Number: 1863560 Numero 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

Panoramica

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

Sinonimi

(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)

Specifiche e purezza

purum, ≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%(GC)

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

C=CCS(=O)(=O)C1=CC=CC=C1

WGK Germania

3

RTECS

WR2400000

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.55
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 128°C/0.9mmHg(lit.)
• Peso molecolare: 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