2-Butyl-3-methylpyrazine

Base Information

• Chemical Name: 2-Butyl-3-methylpyrazine
• CAS No.: 15987-00-5
• Molecular Formula: C9H14 N2
• Molecular Weight: 150.224
• Hs Code.: 2933990090
• European Community (EC) Number: 240-126-5
• UNII: SLG6RBP4ZT
• DSSTox Substance ID: DTXSID0065987
• Nikkaji Number: J208.107E
• Wikidata: Q72489028
• Mol file: 15987-00-5.mol

Synonyms:2-Butyl-3-methylpyrazine;15987-00-5;2-n-Butyl-3-methylpyrazine;Pyrazine, 2-butyl-3-methyl-;SLG6RBP4ZT;EINECS 240-126-5;Cisatracurium Besilete;UNII-SLG6RBP4ZT;2-Methyl-3- butylpyrazine;SCHEMBL293872;DTXSID0065987;IRSIKJPEFMMRHD-UHFFFAOYSA-;2-METHYL-3-BUTYLPYRAZINE;2-METHYL-3-BUTYL-PYRAZINE;MFCD00038031;AKOS015839703;AS-10574;B1173;CS-0324258;FT-0611633

Chemical Property of 2-Butyl-3-methylpyrazine

Chemical Property:

• Vapor Pressure: 0.217mmHg at 25°C
• Refractive Index: 1.4920 to 1.4960
• Boiling Point: 215.3°Cat760mmHg
• PKA: 1.93±0.10(Predicted)
• Flash Point: 83°C
• PSA: 25.78000
• Density: 0.95g/cm³
• LogP: 2.12760
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

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

2-Butyl-3-methylpyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC=CN=C1C
• Uses: 2-Butyl-3-methylpyrazine is used in the synthesis of aqueous formulations rich in pyrazines. 2-Butyl-3-methylpyrazine is an aroma component of roasted cocoa beans.

Technology Process of 2-Butyl-3-methylpyrazine

There total 3 articles about 2-Butyl-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:

5-Butyl-6-methyl-pyrazine-2,3-dicarboxylic acid → 2-n-butyl-3-methylpyrazine (15987-00-5)

Guidance literature:

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

Reference yield:

N-3-(2-oxoheptyl)-N-phenyltriflamide (71700-42-0) + ethylenediamine (107-15-3,85404-18-8) → trifluoromethanesulfonate + aniline (62-53-3) + 2-n-butyl-3-methylpyrazine (15987-00-5)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jo01289a032

Reference yield:

→ 2-n-butyl-3-methylpyrazine (15987-00-5)

Guidance literature:

Methylpyrazin, Butyraldehyd;

upstream raw materials:

N-3-(2-oxoheptyl)-N-phenyltriflamide

ethylenediamine

Refernces

• 1、 Bergeron, Raymond J.,Hoffman, Patrick. "Application of N-Phenyltrifluoromethanesulfonamides to the Synthesis of Pyrazines". . p. 161 - 163. Retrieved 2007/10/02.