2-Cyclopenten-1-one - ≥96%(GC) , CAS No.930-30-3

CAS: 930-30-3 Cat. No.: C139450 Fórmula: C₅H₆O Peso molecular: 82.1 Beilstein Registry Number: 1446054 Número EC: 213-213-0

CALIDAD & PUREZA ≥96%(GC)

Synonyms

NSC73117 | NSC-73117 | Q2292678 | 3-Cyclopenten-2-one | Cyclopenten-3-one | Cyclopenten-2-one | FT-0649567 | Cyclopentenone | Cyclopent-2-enone | STL183308 | 2-CYCLOPENTEN-1-ONE | AM61702 | HY-W010643 | AKOS025243944 | J-520173 | NSC 73117 | DTXSID6087080

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

A versatile electrophile utilized in a variety of addition reactions including conjugate addition of organocopper nucleophiles, Michael reaction with silyl enol ethers, and siloxanes. Diels-Alder cycloadditions, and phosphoniosilylations.

Especificaciones

Sinónimos

NSC73117 | NSC-73117 | Q2292678 | 3-Cyclopenten-2-one | Cyclopenten-3-one | Cyclopenten-2-one | FT-0649567 | Cyclopentenone | Cyclopent-2-enone | STL183308 | 2-CYCLOPENTEN-1-ONE | AM61702 | HY-W010643 | AKOS025243944 | J-520173 | NSC 73117 | DTXSID6087080

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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Pureza

≥96%(GC)

Nombres e identificadores

Pubchem Sid

508808404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808404

Sonrisas canónicas

C1CC(=O)C=C1

IUPAC Name

cyclopent-2-en-1-one

InChIKey

BZKFMUIJRXWWQK-UHFFFAOYSA-N

INCHI

1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2

Isómeros SMILES

C1CC(=O)C=C1

WGK Alemania

3

Peso molecular

82.1

Beilstein

1446054

Reaxy-Rn

1446054

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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)

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Discover Target: FBP1

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Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

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P388 (20296 Activities)

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W256 (236 Activities)

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Ehrlich (1318 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with alcohol and ether. Immiscible with water.
• Sensibilidad: Moisture & light & heat sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°C): 48 °C
• Punto de ebullición (°C): 154 °C
• Peso molecular: 82.100 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.0419 Da
• Monoisotopic Mass: 82.0419 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 92.100
• 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