2-Isobutylpyrazine

Base Information

• Chemical Name: 2-Isobutylpyrazine
• CAS No.: 29460-92-2
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• European Community (EC) Number: 249-647-2
• DSSTox Substance ID: DTXSID80183668
• Nikkaji Number: J250.853B
• Wikidata: Q72485095
• ChEMBL ID: CHEMBL317788
• Mol file: 29460-92-2.mol

Synonyms:2-ISOBUTYLPYRAZINE;29460-92-2;2-(2-methylpropyl)pyrazine;Isobutylpyrazine;2-Isobutyl pyrazine;Pyrazine, (2-methylpropyl)-;(2-Methylpropyl)pyrazine;Pyrazine, 2-(2-methylpropyl)-;EINECS 249-647-2;2-methylpropylpyrazine;2-Isobutyl-pyrazine;SCHEMBL510583;CHEMBL317788;SCHEMBL24317804;DTXSID80183668;MFCD00156150;AKOS006227754;AC-16632;FT-0652588;W-106987

Chemical Property of 2-Isobutylpyrazine

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.736mmHg at 25°C
• Refractive Index: 1.4875
• Boiling Point: 190.8 °C at 760 mmHg
• PKA: 1.50±0.10(Predicted)
• Flash Point: 70.8 °C
• PSA: 25.78000
• Density: 0.958 g/cm³
• LogP: 1.67510
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 91.3

Purity/Quality:

97% ^*data from raw suppliers

2-Isobutylpyrazine 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=NC=CN=C1

Technology Process of 2-Isobutylpyrazine

There total 3 articles about 2-Isobutylpyrazine 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: 14.0%

1,4-pyrazine (290-37-9) + 3-methylbutyric acid (503-74-2) → 2,6-bis(2-methylpropyl)pyrazine (595605-20-2) + 2-methylpropylpyrazine (29460-92-2)

Guidance literature:

With ammonium persulfate; trifluoroacetic acid; silver nitrate; In water; chlorobenzene; for 2h; Heating;

DOI:10.1016/S0040-4020(01)82033-0

Reference yield:

2-chloropyrazin (14508-49-7) + 2-methylpropylmagnesium chloride (5674-02-2) → 2-methylpropylpyrazine (29460-92-2)

Guidance literature:

2-chloropyrazin; With MnCl₂(THF)_1.6; In tetrahydrofuran; at 21 ℃; for 0.0833333h; Glovebox; Inert atmosphere;

2-methylpropylmagnesium chloride; In tetrahydrofuran; at 21 ℃; for 0.25h; Glovebox; Inert atmosphere;

DOI:10.1055/s-0037-1610200

Reference yield:

→ 2-methylpropylpyrazine (29460-92-2)

Guidance literature:

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

DOI:10.1021/jo01067a087

upstream raw materials:

1,4-pyrazine

3-methylbutyric acid

2-chloropyrazin

2-methylpropylmagnesium chloride

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