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

CAS: 69739-34-0 Cat. No.: B106950 Summenformel: C₇H₁₅F₃O₃SSi Molekulargewicht: 264.34 Beilstein Registry Number: 2370068 EG-Nummer: 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

Lagerung bei -20°C, Argon geladen

Shipped In

Eistruhe + Eispads

Übersicht

Wird in der Regel verwendet, um eine sperrige tert-Butyl-Dimethylsilylgruppe in ein cis-Bis(alkenyl)oxiran einzuführen, die eine Cope-Umlagerung bei Raumtemperatur zu einem 2-CF3-4,5-Dihydrooxepin ermöglicht, und kann auch eine schnelle und effiziente Chalkogenid-Morita-Baylis-Hillman-Reaktion zusammen mit einem Thiolan fördern.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei -20°C, Argon geladen

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528770638
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
• WGK Deutschland: 3
• UN-Nummer: 2920
• Molekulargewicht: 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
    • Klasse Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives
        • Ebene5 Alkanesulfonic acids and derivatives
          • Ebene6 Alkanesulfonic acids
            • Ebene7 Trifluoromethanesulfonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly miscible with chloroform.
• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.385
• Flammpunkt (°C): 36℃
• Siedepunkt (°C): 65-67°C
• Molekulargewicht: 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

XLogP3