1-(Pyrazin-2-yl)butan-1-one

Base Information

• Chemical Name: 1-(Pyrazin-2-yl)butan-1-one
• CAS No.: 61892-81-7
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 2933990090
• NSC Number: 245208
• DSSTox Substance ID: DTXSID50311779
• Wikidata: Q82061791
• Mol file: 61892-81-7.mol

Synonyms:1-(Pyrazin-2-yl)butan-1-one;61892-81-7;ethylacetylpyrazine;NSC245208;1-(2-Pyrazinyl)-1-butanone;SCHEMBL9946197;DTXSID50311779;1-(2-Pyrazinyl)-1-butanone #;AKOS010015182;NSC 245208;NSC-245208

Chemical Property of 1-(Pyrazin-2-yl)butan-1-one

Chemical Property:

• Vapor Pressure: 0.0281mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 245.8 °C at 760 mmHg
• Flash Point: 105.9 °C
• PSA: 42.85000
• Density: 1.069 g/cm³
• LogP: 1.45940
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

1-(Pyrazin-2-yl)butan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=NC=CN=C1

Technology Process of 1-(Pyrazin-2-yl)butan-1-one

There total 3 articles about 1-(Pyrazin-2-yl)butan-1-one 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: 74.0%

1,4-pyrazine (290-37-9) + 2-oxopentanoic acid (1821-02-9) → 1-(pyrazin-2-yl)butan-1-one (61892-81-7)

Guidance literature:

With NH₄S₂O₈; silver nitrate; trifluoroacetic acid; In dichloromethane; water; at 40 ℃; for 2.5h;

DOI:10.1021/jo00008a050

Reference yield: 25.0%

1,4-pyrazine (290-37-9) + butyraldehyde (123-72-8) → 1-(pyrazin-2-yl)butan-1-one (61892-81-7)

Guidance literature:

With tert.-butylhydroperoxide; sulfuric acid; iron(II) sulfate; In water; at 3 - 15 ℃; for 1h;

Reference yield: 8.0%

2-pyrazine carbonitrile (19847-12-2) + 1-propylmagnesium chloride (2234-82-4) → 1-(pyrazin-2-yl)butan-1-one (61892-81-7)

Guidance literature:

In methanol; diethyl ether; water; at -20 ℃;

DOI:10.1002/chem.202103467

upstream raw materials:

1,4-pyrazine

butyraldehyde

2-oxopentanoic acid

2-pyrazine carbonitrile

Downstream raw materials:

acetylpyrazine

2-Methyl-1-pyrazin-2-yl-cyclopropanol

Refernces

• 1、 Wang, Xiu-Zhi,Zeng, Cheng-Chu. "Iron-catalyzed Minisci acylation of N-heteroarenes with α-keto acids". supporting information. p. 1425 - 1430. Retrieved 2019/02/01.
• 2、 Houminer, Y.,Southwick, E. W.,Williams, D. L.. "Preparation of Monoacylpyrazines". . p. 497 - 500. Retrieved 2007/10/02.