2-Methylpyrazine - ≥98%(GC) , CAS No.109-08-0

CAS: 109-08-0 Cat. No.: M158369 Fórmula: C₅H₆N₂ Peso molecular: 94.12 Beilstein Registry Number: 105778 Número EC: 203-645-8

GRADE & PURITY ≥98%(GC)

Synonyms

2-Methylpyrazine, >=99% | NSC49138 | NSC-49138 | 2-METHYLPYRAZINE [FHFI] | 5-methylpyrazine | RVC6500U9C | 2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard | 2-Methylpyrazine, Pharmaceutical Secondary Standard; Certified Reference Material

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Description：

2-Methylpyrazine is an alkyl-substituted pyrazine used as a key intermediate in the synthesis of pyrazineamide, an anti-tubercular drug.

Product Application：

2-Methylpyrazine can be used: As a ligand to prepare coordination polymer [Ag(CF3CO2)(2-Me-Pyz)], wherein 2-Me-Pyz is 2-methylpyrazine. To prepare 2-cyanopyrazine via ammoxidation reaction using MoVPO catalyst. As a ligand in the synthesis of fluorescent silver(I)-saccharinato complex, which exhibits blue luminescence at room temperature.

Specifications

Sinónimos

2-Methylpyrazine, >=99% | NSC49138 | NSC-49138 | 2-METHYLPYRAZINE [FHFI] | 5-methylpyrazine | RVC6500U9C | 2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard | 2-Methylpyrazine, Pharmaceutical Secondary Standard; Certified Reference Material

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488180635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180635
• Sonrisas canónicas: CC1=NC=CN=C1
• IUPAC Name: 2-methylpyrazine
• InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
• Isómeros SMILES: CC1=NC=CN=C1
• WGK Alemania: 3
• RTECS: UQ3675000
• Peso molecular: 94.12
• Beilstein: 105778
• Reaxy-Rn: 105778
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105778&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Fully miscible in water.
• Sensibilidad: Air sensitive
• Índice de refracción: 1.50
• Punto de inflamación (°F): 122 °F
• Punto de inflamación (°C): 50°C
• Punto de ebullición (°C): 135°C
• Punto de fusión (°C): -29°C(lit.)
• Peso molecular: 94.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.0531 Da
• Monoisotopic Mass: 94.0531 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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