3-(Trimethylsilyl)pyridin-2-yl trifluoromethanesulfonate - ≥95% , CAS No.134391-76-7

CAS: 134391-76-7 Cat. No.: T467093 Molecular Weight: 299.34 EC Number: 808-421-9 PubChem CID: 15062470

GRADE & PURITY ≥95%

Synonyms

3-(trimethylsilyl)pyridin-2-yl trifluoromethanesulfonate | 3-(Trimethylsilyl)pyridin-2-yl trifluoromethanesulfonate, AldrichCPR | AS-71025 | 3-(trimethylsilyl)pyridin-2-yl triflate | (3-trimethylsilylpyridin-2-yl) trifluoromethanesulfonate | SXIBFUWSBRRXR

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

Pyridyne precursor can be activated under mild fluoride conditions; which are highly reactive with dienes and other dipolariphiles (e.g. azides) to provide cycloaddition products containing an indole motif.

Specifications

Synonyms

3-(trimethylsilyl)pyridin-2-yl trifluoromethanesulfonate | 3-(Trimethylsilyl)pyridin-2-yl trifluoromethanesulfonate, AldrichCPR | AS-71025 | 3-(trimethylsilyl)pyridin-2-yl triflate | (3-trimethylsilylpyridin-2-yl) trifluoromethanesulfonate | SXIBFUWSBRRXR

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C1=C(N=CC=C1)OS(=O)(=O)C(F)(F)F
• IUPAC Name: (3-trimethylsilylpyridin-2-yl) trifluoromethanesulfonate
• InChIKey: SXIBFUWSBRRXRJ-UHFFFAOYSA-N
• INCHI: 1S/C9H12F3NO3SSi/c1-18(2,3)7-5-4-6-13-8(7)16-17(14,15)9(10,11)12/h4-6H,1-3H3
• Isomeric SMILES: C[Si](C)(C)C1=C(N=CC=C1)OS(=O)(=O)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 15062470
• Molecular Weight: 299.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Alkanesulfonic acids and derivatives - Alkanesulfonic acids
• Direct Parent: Trifluoromethanesulfonates
• Alternative Parents: Alkylarylsilanes Organosulfonic acid esters Sulfonic acid esters Pyridines and derivatives Heteroaromatic compounds Methanesulfonates Sulfonyls Trihalomethanes Organic metalloid salts Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organonitrogen compounds Organooxygen compounds Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethanesulfonate - Alkylarylsilane - Pyridine - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Heteroaromatic compound - Trihalomethane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Alkyl fluoride - Organosilicon compound - Alkylsilane - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Molecular Weight: 299.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 299.026 Da
• Monoisotopic Mass: 299.026 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 385.000
• 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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