Methanone, phenylpyrazinyl-

Base Information

• Chemical Name: Methanone, phenylpyrazinyl-
• CAS No.: 3430-09-9
• Molecular Formula: C11H8N2O
• Molecular Weight: 184.197
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00187865
• Nikkaji Number: J699.106H
• Wikidata: Q83059618
• Mol file: 3430-09-9.mol

Synonyms:Methanone, phenylpyrazinyl-;3430-09-9;phenyl pyrazinyl ketone;Methanone,phenylpyrazinyl-;SCHEMBL4019791;DTXSID00187865;LFMSOZLXKHFQBF-UHFFFAOYSA-N;AKOS000280249

Chemical Property of Methanone, phenylpyrazinyl-

Chemical Property:

• Vapor Pressure: 0.000215mmHg at 25°C
• Melting Point: 51-53 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 326.5°Cat760mmHg
• PKA: -0.53±0.10(Predicted)
• Flash Point: 155.6°C
• PSA: 42.85000
• Density: 1.196g/cm³
• LogP: 1.70760
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.063662883
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=NC=CN=C2

Technology Process of Methanone, phenylpyrazinyl-

There total 16 articles about Methanone, phenylpyrazinyl- 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: 100.0%

1,4-pyrazine (290-37-9) + Benzoylformic acid (611-73-4) → phenyl(pyrazin-2-yl)methanone (3430-09-9)

Guidance literature:

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

DOI:10.1021/jo00008a050

Reference yield: 93.0%

α-(2-pyrazinyl)phenylacetonitrile (1080-87-1) → phenyl(pyrazin-2-yl)methanone (3430-09-9)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In toluene; for 3h;

Reference yield: 92.0%

1,4-pyrazine (290-37-9) + benzaldehyde (100-52-7) → phenyl(pyrazin-2-yl)methanone (3430-09-9)

Guidance literature:

With N-hydroxyphthalimide; cobalt(III) acetylacetonate; cobalt acetylacetonate; In benzonitrile; trifluoroacetic acid; at 70 ℃; for 12h;

DOI:10.1002/jhet.5570400220

upstream raw materials:

2-pyrazine carbonitrile

1,4-pyrazine

benzaldehyde

Benzoylformic acid

Downstream raw materials:

<α-(2-methoxyphenoxy)benzyl>pyrazine

(α-chlorobenzyl)pyrazine

phenyl-pyrazin-2-yl-methanone pyridin-2-ylhydrazone

Refernces

• 1、 Hunjan, Mandeep Kaur,Laha, Joydev K.. "K2S2O8activation by glucose at room temperature for the synthesis and functionalization of heterocycles in water". supporting information. p. 8437 - 8440. Retrieved 2021/09/02.
• 2、 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.