2-Hydroxy-5-methylpyrazine - ≥98% , CAS No.20721-17-9

CAS: 20721-17-9 Cat. No.: M191984 Molecular Weight: 110.11

GRADE & PURITY ≥98%

Synonyms

AKOS015856433 | 5-Methylpyrazin-2(1H)-one | 2-Hydroxy-5-methylpyrazine | 5-methyl-1,2-dihydropyrazin-2-one | 5-Methyl-2(1H)-pyrazinone | GS-5795 | W-206547 | FT-0650138 | NSC 143658 | SCHEMBL752334 | 5-hydroxy-2-methylpyrazine | 5-methylpyrazinol | AKOS00

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

5-Methyl-2(1H)-pyrazinone is a useful synthetic intermediate. it is a derivative of 2-Hydroxypyrazine which is used in the synthesis of potential antioxidants. 2-Hydroxypyrazine is also used in the preparation of antibacterial agents as 2-substituted pyrazine derivatives.

Specifications

Synonyms

AKOS015856433 | 5-Methylpyrazin-2(1H)-one | 2-Hydroxy-5-methylpyrazine | 5-methyl-1,2-dihydropyrazin-2-one | 5-Methyl-2(1H)-pyrazinone | GS-5795 | W-206547 | FT-0650138 | NSC 143658 | SCHEMBL752334 | 5-hydroxy-2-methylpyrazine | 5-methylpyrazinol | AKOS00

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755953
• Canonical Smiles: CC1=CNC(=O)C=N1
• IUPAC Name: 5-methyl-1H-pyrazin-2-one
• InChIKey: MJJNWPBBFIRYCW-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O/c1-4-2-7-5(8)3-6-4/h2-3H,1H3,(H,7,8)
• Isomeric SMILES: CC1=CNC(=O)C=N1
• Molecular Weight: 110.11
• Reaxy-Rn: 110231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• 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

• Sensitivity: Air and moisture sensitive
• Molecular Weight: 110.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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