2-Isopropyl-3-methylpyrazine

Base Information

• Chemical Name: 2-Isopropyl-3-methylpyrazine
• CAS No.: 15986-81-9
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70333918
• Nikkaji Number: J45.601B
• Wikidata: Q63409484
• ChEMBL ID: CHEMBL275759
• Mol file: 15986-81-9.mol

Synonyms:2-Isopropyl-3-methylpyrazine;15986-81-9;2-Methyl-3-isopropylpyrazine;2-methyl-3-propan-2-ylpyrazine;Pyrazine, 2-methyl-3-(1-methylethyl)-;3-Isopropyl-2-methylpyrazine;2-Isopropyl-3-methyl-pyrazine;CHEMBL275759;SCHEMBL2550967;SCHEMBL4729929;2-Isopropyl-3-methylpyrazine #;2-Methyl-3-iso-propyl pyrazine;Pyrazine, 2-methyl-3-isopropyl;DTXSID70333918;2-methyl-3-(propan-2-yl)pyrazine;Pyrazine, 2-methyl-3-(1-methylethyl);A851548;Q63409484

Chemical Property of 2-Isopropyl-3-methylpyrazine

Chemical Property:

• PSA: 25.78000
• LogP: 1.90840
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

≥95% ^*data from raw suppliers

2-Isopropyl-3-methylpyrazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=CN=C1C(C)C

Technology Process of 2-Isopropyl-3-methylpyrazine

There total 3 articles about 2-Isopropyl-3-methylpyrazine 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:

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;

Reference yield:

5-Isopropyl-6-methyl-pyrazine-2,3-dicarboxylic acid → 2-isopropyl-3-methyl-pyrazine (15986-81-9)

Guidance literature:

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

Reference yield:

→ 2-isopropyl-3-methyl-pyrazine (15986-81-9)

Guidance literature:

entspr. 5,6-Dihydropyrazin, KOH, Athylenglycol;

DOI:10.1271/bbb1961.37.1509

upstream raw materials:

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

Downstream raw materials:

2-(2-hydroxy-2-phenylethyl)-3-isopropylpyrazine

Refernces

• 1、 Heyns, Kurt,Behse, Ernst,Francke, Wittko. "Ueber die Synthese von 2,3-Dialkylpyrazinen". . p. 240 - 245. Retrieved 2007/10/02.