2-Propylpyrazine

Base Information

• Chemical Name: 2-Propylpyrazine
• CAS No.: 18138-03-9
• Molecular Formula: C7H10N2
• Molecular Weight: 122.17
• Hs Code.: 29339900
• European Community (EC) Number: 242-023-0
• UNII: 62VZ3AQA6L
• DSSTox Substance ID: DTXSID1066316
• Nikkaji Number: J101.102B
• Wikidata: Q27263521
• Metabolomics Workbench ID: 49427
• Mol file: 18138-03-9.mol

Synonyms:2-Propylpyrazine;18138-03-9;Propylpyrazine;N-PROPYLPYRAZINE;Pyrazine, propyl-;Pyrazine, 2-propyl-;2-propyl pyrazine;2-propyl-pyrazine;UNII-62VZ3AQA6L;Pyrazine, 2-(n-propyl)-;62VZ3AQA6L;EINECS 242-023-0;propyl-pyrazine;n-Propylpyrazin;2-(N-Propyl)-Pyrazine;2-N-PROPYL PYRAZINE;2-Propylpyrazine, AldrichCPR;SCHEMBL309452;2-Propylpyrazine, 97%, FG;2-PROPYL-1,4-DIAZINE;DTXSID1066316;FEMA NO. 3961;FEMA 3961;CHEBI:193622;MFCD00049214;AKOS006228793;CS-W013549;DS-12174;FT-0637653;P1833;D70525;EN300-7417400;Q27263521

Chemical Property of 2-Propylpyrazine

Chemical Property:

• Appearance/Colour: clear very slightly yellow liquid
• Vapor Pressure: 68.9mmHg at 25°C
• Refractive Index: 1.492-1.494
• Boiling Point: 176.775 °C at 760 mmHg
• PKA: 1.70±0.10(Predicted)
• Flash Point: 65.355 °C
• PSA: 25.78000
• Density: 0.976 g/cm³
• LogP: 1.42910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 122.084398327
• Heavy Atom Count: 9
• Complexity: 73.3

Purity/Quality:

98% ^*data from raw suppliers

2-Propylpyrazine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-36/37/38
• Safety Statements: 24/25-39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC=CN=C1

Technology Process of 2-Propylpyrazine

There total 5 articles about 2-Propylpyrazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.4%

2-chloropyrazin (14508-49-7) + 1-propylmagnesium chloride (2234-82-4) → 2-propylpyrazine (18138-03-9)

Guidance literature:

2-chloropyrazin; With iron(III)-acetylacetonate; In tetrahydrofuran; Inert atmosphere;

1-propylmagnesium chloride; In tetrahydrofuran; Cooling with ice-water;

With ammonium chloride; In tetrahydrofuran; water; at 20 ℃; Inert atmosphere;

Reference yield: 24.0%

2-chloro-3-propyl-pyrazine (85093-85-2) → 2-propylpyrazine (18138-03-9)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In methanol;

Reference yield:

→ 2-propylpyrazine (18138-03-9)

Guidance literature:

2-Methylpyrazin, 1. NaNH2/fl.NH3, 2. Ethylbromid;

DOI:10.1021/jo01067a087

upstream raw materials:

2-chloropyrazin

1-propylmagnesium chloride

2-chloro-3-propyl-pyrazine

2-hydroxy-3-propylpyrazine

Downstream raw materials:

C₇H₁₂N₃⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

C₇H₁₂N₃⁽¹⁺⁾*C₉H₁₁O₃S^(1-)

Refernces

• 1、 Ai, Lvye,Liu, Mengzhen,Ji, Xiaoming,Lai, Miao,Zhao, Mingqin,Ren, Tianbao. "Thermal Behavior Analysis of Two Synthesized Flavor Precursors of N-alkylpyrrole Derivatives". . p. 2389 - 2397. Retrieved 2019/08/01.
• 2、 -. "Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents". . . Retrieved 2015/03/03.