4-Trimethylsilyloxy-3-penten-2-one - ≥96%(GC), sum of cis and trans , CAS No.13257-81-3

CAS: 13257-81-3 Cat. No.: T161747 Peso molecular: 172.3 Beilstein Registry Number: 1759080 Número EC: 236-252-5

GRADE & PURITY ≥96%(GC), sum of cis and trans

Synonyms

2-trimethylsiloxypent-2-ene-4-one | 4-(Trimethylsiloxy)-3-penten-2-one, for GC derivatization, >=97.0% (GC) | 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- | 2-(Trimethylsiloxy)-2-penten-4-one | 4-(Trimethylsiloxy)-3-penten-2-one | EINECS 236-252-5 | 4-(Trimet

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

4-(Trimethylsiloxy)-3-penten-2-one (trimethylsilyl ether of acetylacetone) has been used in the synthesis of isomers of organosilicon carbofunctional compounds:

· 4-(3′-triethoxysilylpropylimino)pent-2-en-2-ol

· 4-(3′-triethoxysilylpropylamino)pent-3-en-2-one

Specifications

Sinónimos

2-trimethylsiloxypent-2-ene-4-one | 4-(Trimethylsiloxy)-3-penten-2-one, for GC derivatization, >=97.0% (GC) | 3-Penten-2-one, 4-[(trimethylsilyl)oxy]- | 2-(Trimethylsiloxy)-2-penten-4-one | 4-(Trimethylsiloxy)-3-penten-2-one | EINECS 236-252-5 | 4-(Trimet

Especificaciones y pureza

≥96%(GC), sum of cis and trans

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504763994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763994
• Sonrisas canónicas: CC(=CC(=O)C)O[Si](C)(C)C
• IUPAC Name: (E)-4-trimethylsilyloxypent-3-en-2-one
• InChIKey: FBADCSUQBLLAHW-SOFGYWHQSA-N
• INCHI: 1S/C8H16O2Si/c1-7(9)6-8(2)10-11(3,4)5/h6H,1-5H3/b8-6+
• Isómeros SMILES: C/C(=C\C(=O)C)/O[Si](C)(C)C
• WGK Alemania: 3
• Peso molecular: 172.3
• Beilstein: 1759080
• Reaxy-Rn: 1759078

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Enones Acryloyl compounds Ketones Silyl enol ethers Organic metalloid salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic metalloid salt - Silyl enol ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.452
• Punto de inflamación (°C): 58℃
• Punto de ebullición (°C): 66-68℃ (lit.) at 4 mmHg
• Peso molecular: 172.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 172.092 Da
• Monoisotopic Mass: 172.092 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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