2-Isopropyl-3-methoxypyrazine - ≥98%(GC) , CAS No.25773-40-4

CAS: 25773-40-4 Cat. No.: I135731 Peso molecular: 152.2 Beilstein Registry Number: 23(5)11,182 Número EC: 247-256-1

GRADE & PURITY ≥98%(GC)

Synonyms

DS-4678 | 2-Isopropyl-3-methoxypyrazine, 97% | 2-Isopropyl-3-methoxypyrazine 100 microg/mL in Methanol | UNII-C90S36R5GY | 1qy2 | Pyrazine, 2-methoxy-3-(1-methylethyl)- | FT-0612705 | GS2586 | MFCD00006135 | 2-Isopropyl-3-methoxypyrazine, 99%, FG | 2-Meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-4678 | 2-Isopropyl-3-methoxypyrazine, 97% | 2-Isopropyl-3-methoxypyrazine 100 microg/mL in Methanol | UNII-C90S36R5GY | 1qy2 | Pyrazine, 2-methoxy-3-(1-methylethyl)- | FT-0612705 | GS2586 | MFCD00006135 | 2-Isopropyl-3-methoxypyrazine, 99%, FG | 2-Meth

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183215
• Sonrisas canónicas: CC(C)C1=NC=CN=C1OC
• IUPAC Name: 2-methoxy-3-propan-2-ylpyrazine
• InChIKey: NTOPKICPEQUPPH-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
• Isómeros SMILES: CC(C)C1=NC=CN=C1OC
• WGK Alemania: 3
• Peso molecular: 152.2
• Beilstein: 23(5)11,182
• Reaxy-Rn: 879114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879114&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: Methoxypyrazines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 152.6 °F
• Punto de inflamación (°C): 67°C(lit.)
• Peso molecular: 152.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.095 Da
• Monoisotopic Mass: 152.095 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• 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

Referencias

1. Yuhang Zhang, Lu Bai, Zhirui Xu, Siyuan Chen, Junping Zheng.  (2023)  A Robust, Thermally Stable, and Efficiently Reprocessable Poly(dimethylsiloxane) Elastomers Based on Activated Dynamic Silyl Ether Linkages by Neighboring Groups.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  224  (15): (2300076).  [PMID:] [10.1002/macp.202300076]

2. Yixuan Wang, Jie Ning, Yuanyuan Wang, Yinghu Ma, Tengzhen Ma, Yumei Jiang, Min Li, Antonio Morata, Bo Zhang.  (2026)  Pyrazine-driven umami enhancement in the Sauvignon Blanc-oyster food pairing: Elucidated through electronic tongue analyses and molecular simulations.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2026.108323]