2-Methyl-3-propylpyrazine

Base Information

• Chemical Name: 2-Methyl-3-propylpyrazine
• CAS No.: 15986-80-8
• Molecular Formula: C8H12 N2
• Molecular Weight: 136.197
• Hs Code.: 29339980
• European Community (EC) Number: 240-121-8
• DSSTox Substance ID: DTXSID8051758
• Nikkaji Number: J149.485F
• Wikidata: Q81984812
• Metabolomics Workbench ID: 49293
• ChEMBL ID: CHEMBL95176
• Mol file: 15986-80-8.mol

Synonyms:2-Methyl-3-propylpyrazine;15986-80-8;2-Methyl-3-n-propylpyrazine;Pyrazine, 2-methyl-3-propyl-;2-Propyl-3-methylpyrazine;2-Methyl-3-propyl-pyrazine;3-Propyl-2-methylpyrazine;3-Propyl-2-methyl pyrazine;EINECS 240-121-8;methylpropylpyrazine;CHEMBL95176;SCHEMBL294405;DTXSID8051758;XAWKNALRUSOTOY-UHFFFAOYSA-;CHEBI:193646;2-Methyl-3-n-propylpyrazine, 99%;MFCD00010096;AKOS005256496;AS-76021;M0841;D91392;A883267;J-009650

Chemical Property of 2-Methyl-3-propylpyrazine

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.792mmHg at 25°C
• Refractive Index: n20/D 1.497(lit.)
• Boiling Point: 189-190℃763mmHg(lit.)
• Flash Point: 156℉
• PSA: 25.78000
• Density: 0.981g/mLat25℃(lit.)
• LogP: 1.73750
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-3-propylpyrazine >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC=CN=C1C

Technology Process of 2-Methyl-3-propylpyrazine

There total 4 articles about 2-Methyl-3-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: 76.0%

2,3-hexanedione (3848-24-6) + ethylenediamine (107-15-3,85404-18-8) → 2-Propyl-3-methylpyrazine (15986-80-8)

Guidance literature:

In neat (no solvent); at 20 ℃; for 8h; Green chemistry;

DOI:10.2174/1570178614666170609072519

Reference yield:

5-Methyl-6-propyl-pyrazine-2,3-dicarboxylic acid → 2-Propyl-3-methylpyrazine (15986-80-8)

Guidance literature:

In acetic acid; at 200 ℃; for 1h; Yield given;

Reference yield:

1-(3-Methyl-pyrazin-2-yl)-propan-2-one (55138-56-2) → 2-Propyl-3-methylpyrazine (15986-80-8) + 2-isopropyl-3-methyl-pyrazine (15986-81-9)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; Multistep reaction. Yields of byproduct given; 1.) methanol, r.t., overnight, 2.) diethylene glycol, water, reflux;

upstream raw materials:

2,3-hexanedione

ethylenediamine

1-(3-Methyl-pyrazin-2-yl)-propan-2-one

Downstream raw materials:

C₈H₁₂N₂O

Refernces

• 1、 Ghosh, Pranab,Chakraborty, Rakesh Ranjan. "Clean and green approach for one-pot synthesis of pyrazines from Eth-ylenediamine and 1,2-diketone or its analogues under neat reaction condition". . p. 566 - 570. Retrieved 2017/09/29.
• 2、 Heyns, Kurt,Behse, Ernst,Francke, Wittko. "Ueber die Synthese von 2,3-Dialkylpyrazinen". . p. 240 - 245. Retrieved 2007/10/02.