Phenyl vinyl sulfone - ≥99% , CAS No.5535-48-8

CAS: 5535-48-8 Cat. No.: P120181 Peso molecular: 168.21 Beilstein Registry Number: 1906894 Número EC: 226-890-2

GRADE & PURITY ≥99%

Synonyms

NSC35394 | NSC-35394 | STK695234 | ETHENYL PHENYL SULFONE | Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- | Phenylvinylsultone | (Vinylsulfonyl)benzene | URI 744 | A24646 | Q-101907 | (ethenesulfonyl)benzene | FT-0602583 | 3197

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Common reagent used in a variety of cycloaddition reactions to form cyclopropanes,cyclohexenes and cyclooctadienes.

Specifications

Sinónimos

NSC35394 | NSC-35394 | STK695234 | ETHENYL PHENYL SULFONE | Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta, 17alpha)- | Phenylvinylsultone | (Vinylsulfonyl)benzene | URI 744 | A24646 | Q-101907 | (ethenesulfonyl)benzene | FT-0602583 | 3197

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504755396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755396
• Sonrisas canónicas: C=CS(=O)(=O)C1=CC=CC=C1
• IUPAC Name: ethenylsulfonylbenzene
• InChIKey: UJTPZISIAWDGFF-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
• Isómeros SMILES: C=CS(=O)(=O)C1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 168.21
• Beilstein: 1906894
• Reaxy-Rn: 1906894
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906894&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 Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - 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

Objetivos asociados (humanos)

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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srtA Sortase A (641 Activities)

Discover Target: srtA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is soluble in most common organic solvents.
• Punto de fusión (°C): 68°C
• Peso molecular: 168.210 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.025 Da
• Monoisotopic Mass: 168.025 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 217.000
• 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

Referencias

1. Rong-Kuan Jiang, Yue Pan, Li-Hua Du, Ling-Yan Zheng, Zhi-Kai Sheng, Shi-Yi Zhang, Hang Lin, Ao-Ying Zhang, Han-Jia Xie, Zhi-Kai Yang, Xi-Ping Luo.  (2022)  Microfluidics Biocatalysis System Applied for the Synthesis of N-Substituted Benzimidazole Derivatives by Aza-Michael Addition.  Catalysts,  12  (12): (1658).  [PMID:] [10.3390/catal12121658]

2. Fang Cheng, Hanqi Wang, Wei He, Bingbing Sun, Jing Zhao, Jingping Qu, Qing Wang.  (2019)  New Strategy for Functionalization of Silica Materials via Catalytic Oxa-Michael Reaction of Surface Silanol Groups with Vinyl Sulfones.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.8b05550]