TBDMS triflate - ≥98% , CAS No.69739-34-0

CAS: 69739-34-0 Cat. No.: B106950 分子式: C₇H₁₅F₃O₃SSi 分子量: 264.34 Beilstein Registry Number: 2370068 EC番号: 274-102-0

GRADE & PURITY ≥98%

Synonyms

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate | tert-butyldimethylsilyl trifluormethanesulfonate | tertbutyldimethylsilyl trifluoromethanesulfonate | Tert-butyldimethylsilyl trifluoromethanesulfonate | tert-butyldimethylsilyl trifluorom

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Usually used to introduce a bulky tert-butyl dimethylsilyl group onto a cis-bis(alkenyl)oxirane facilitating a room temperature Cope rearrangement to a 2-CF3-4,5-dihydrooxepin.And also can promotes a rapid and efficient chalcogenide-Morita-Baylis-Hillman reaction together with a thiolane.

Specifications

同義語

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate | tert-butyldimethylsilyl trifluormethanesulfonate | tertbutyldimethylsilyl trifluoromethanesulfonate | Tert-butyldimethylsilyl trifluoromethanesulfonate | tert-butyldimethylsilyl trifluorom

仕様と純度

≥98%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 528770638
• カノニカル・スマイル: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
• IUPAC Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
• InChIKey: WLLIXJBWWFGEHT-UHFFFAOYSA-N
• INCHI: 1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
• 異性体SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
• WGKドイツ: 3
• UN番号: 2920
• 分子量: 264.34
• Beilstein: 2370068
• Reaxy-Rn: 2370068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2370068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Level5 Alkanesulfonic acids and derivatives
          • Level6 Alkanesulfonic acids
            • Level7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Trialkylheterosilanes Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trifluoromethanesulfonate - Methanesulfonate - Trialkylheterosilane - Sulfonyl - Trihalomethane - Organoheterosilane - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic salt - Organosilicon compound - Organic oxide - Organosulfur compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl 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

化学的性質と物理的性質

• 溶解度: Slightly miscible with chloroform.
• 感度: Moisture sensitive
• 屈折率: 1.385
• 引火点（°C）: 36℃
• 沸点（°C）: 65-67°C
• 分子量: 264.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 264.046 Da
• Monoisotopic Mass: 264.046 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 321.000
• 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

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