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

CAS: 69739-34-0 Cat. No.: B106950 Formula: C₇H₁₅F₃O₃SSi Peso molecolare: 264.34 Beilstein Registry Number: 2370068 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528770638
• Sorrisi canonici: 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
• Isomeri SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
• WGK Germania: 3
• Numero UN: 2920
• Peso molecolare: 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
    • Classe 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
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Slightly miscible with chloroform.
• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.385
• Punto di infiammabilità (°C): 36℃
• Punto di ebollizione (°C): 65-67°C
• Peso molecolare: 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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