2,4,6-Trimethylpyrylium Tetrafluoroborate - ≥98% , CAS No.773-01-3

CAS: 773-01-3 Cat. No.: T162518 Molecular Weight: 209.98 Beilstein Registry Number: 17(5)493 EC Number: 212-256-2 PubChem CID: 164732

GRADE & PURITY ≥98%

Synonyms

2,4,6-trimethyl-pyranylium tetrafluoroborate | AKOS000279487 | Pyrylium, 2,4,6-trimethyl-, tetrafluoroborate(1-) | 2,4,6-TRIMETHYLPYRYLIUMTETRAFLUOROBORATE | AKOS015832955 | SCHEMBL2778940 | 2,4,6-Trimethylpyrylium tetrafluoroborate | EINECS 212-256-2 | S

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 4, 6-trimethyl-pyranylium tetrafluoroborate | AKOS000279487 | Pyrylium, 2, 4, 6-trimethyl-, tetrafluoroborate(1-) | 2, 4, 6-TRIMETHYLPYRYLIUMTETRAFLUOROBORATE | AKOS015832955 | SCHEMBL2778940 | 2, 4, 6-Trimethylpyrylium tetrafluoroborate | EINECS 212-256-2 | S

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757551
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757551
• Canonical Smiles: [B-](F)(F)(F)F.CC1=CC(=[O+]C(=C1)C)C
• IUPAC Name: 2,4,6-trimethylpyrylium;tetrafluoroborate
• InChIKey: PYOPRIFMELCENN-UHFFFAOYSA-N
• INCHI: 1S/C8H11O.BF4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CC1=CC(=[O+]C(=C1)C)C
• PubChem CID: 164732
• Molecular Weight: 209.98
• Beilstein: 17(5)493
• Reaxy-Rn: 3639361

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 208°C(lit.)
• Molecular Weight: 209.980 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 210.084 Da
• Monoisotopic Mass: 210.084 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 99.700
• 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

XLogP3

References

1. Xiaolu Hu, Lan Yu, Yatong Li, Xiaoxi Li, Yimeng Zhao, Lijuan Xiong, Jiaxuan Ai, Qijun Chen, Xing Wang, Xiaoqing Chen, Yinying Ba, Yaonan Wang, Xia Wu.  (2023)  Piperine improves levodopa availability in the 6-OHDA-lesioned rat model of Parkinson's disease by suppressing gut bacterial tyrosine decarboxylase.  CNS Neuroscience & Therapeutics,      [PMID:37528534] [10.1111/cns.14383]