Sodium 5-(trifluoromethyl)pyridine-2-sulfinate - ≥98% , CAS No.2098851-48-8

CAS: 2098851-48-8 Cat. No.: S463525 Peso molecular: 233.14 Número EC: 842-555-9 PubChem CID: 131801568

GRADE & PURITY ≥98%

Synonyms

sodium;5-(trifluoromethyl)pyridine-2-sulfinate | SODIUM5-(TRIFLUOROMETHYL)PYRIDINE-2-SULFINATE | 2098851-48-8 | MFCD31442692 | Sodium 5-(trifluoromethyl)pyridine-2-sulfinate, >=95% | EN300-724587 | D81141 | O0546 | SODIUM 5-(TRIFLUOROMETHYL)PYRIDINE-2-SUL

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Description

This 2-pyridylsulfinate enables Suzuki-Miyaura cross coupling with aryl halides to access diverse pyridine derivatives as reported by the laboratory ofMichael Willis.. No longer impeded by unstable 2-pyridyl boronates, the sulfinate alternatives provide Pd-catalyzed coupling routes to therapeutically valuable pyridine rings.

Specifications

Sinónimos

sodium;5-(trifluoromethyl)pyridine-2-sulfinate | SODIUM5-(TRIFLUOROMETHYL)PYRIDINE-2-SULFINATE | 2098851-48-8 | MFCD31442692 | Sodium 5-(trifluoromethyl)pyridine-2-sulfinate, >=95% | EN300-724587 | D81141 | O0546 | SODIUM 5-(TRIFLUOROMETHYL)PYRIDINE-2-SUL

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488202759
• Sonrisas canónicas: C1=CC(=NC=C1C(F)(F)F)S(=O)[O-].[Na+]
• IUPAC Name: sodium;5-(trifluoromethyl)pyridine-2-sulfinate
• InChIKey: SAGBUXWBZZIXTN-UHFFFAOYSA-M
• INCHI: 1S/C6H4F3NO2S.Na/c7-6(8,9)4-1-2-5(10-3-4)13(11)12;/h1-3H,(H,11,12);/q;+1/p-1
• Isómeros SMILES: C1=CC(=NC=C1C(F)(F)F)S(=O)[O-].[Na+]
• PubChem CID: 131801568
• Peso molecular: 233.14
• Reaxy-Rn: 319698162

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Thioamide-S,S-dioxides Heteroaromatic compounds Sulfinic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Thioamide-s,s-dioxide - Heteroaromatic compound - Sulfinic acid derivative - Organic metal halide - Azacycle - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 233.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 232.973 Da
• Monoisotopic Mass: 232.973 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 214.000
• 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: 2

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