1-(Trimethylsilyloxy)cyclohexene - ≥97% , CAS No.6651-36-1

CAS: 6651-36-1 Cat. No.: T657435 Peso molecular: 170.33 Número EC: 229-675-1 PubChem CID: 81161

GRADE & PURITY ≥97%

Synonyms

cyclohexene, 1-[(trimethylsilyl)oxy]- | D92487 | 1-trimethylsilyloxy-1-cyclohexene | J-802002 | Cyclohexenyloxytrimethylsilane | disodium;butane-1,4-disulfonate | (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylprop

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

1-(Trimethylsiloxy)cyclohexene was used in one-pot synthesis of Δ1,9- octalone. It is intermediate to many complex compounds including natural products.

Specifications

Sinónimos

cyclohexene, 1-[(trimethylsilyl)oxy]- | D92487 | 1-trimethylsilyloxy-1-cyclohexene | J-802002 | Cyclohexenyloxytrimethylsilane | disodium;butane-1, 4-disulfonate | (2R, 3S)-N-[(2S)-3, 3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N', 3-dihydroxy-2-(2-methylprop

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C[Si](C)(C)OC1=CCCCC1
• IUPAC Name: cyclohexen-1-yloxy(trimethyl)silane
• InChIKey: SBEMOANGDSSPJY-UHFFFAOYSA-N
• INCHI: 1S/C9H18OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
• Isómeros SMILES: C[Si](C)(C)OC1=CCCCC1
• WGK Alemania: 3
• PubChem CID: 81161
• Peso molecular: 170.33
• Reaxy-Rn: 1859394

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: Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Trialkylheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic homomonocyclic 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

• Solubilidad: Not miscible or difficult to mix.
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.44
• Punto de inflamación (°F): 107 °F
• Punto de inflamación (°C): 42℃
• Punto de ebullición (°C): 165℃
• Peso molecular: 170.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.113 Da
• Monoisotopic Mass: 170.113 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

XLogP3

Referencias

1. Sen Jiang, Xin Xu, Junying Yin, Haihua Wu, Xuequan Zhu, Hongtao Guan, Lai Wei, Kang Xi, Yuelang Lan, Linghao Zhang, Yang Qiu, Yunfang Gao.  (2022)  Regulating electrode-electrolyte interphases and eliminating hydrogen fluoride to boost electrochemical performances of Li/NCM811 batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.138359]