2,3-Dicyano-5-methyl-6-phenylpyrazine

Base Information

• Chemical Name: 2,3-Dicyano-5-methyl-6-phenylpyrazine
• CAS No.: 52109-67-8
• Molecular Formula: C13H8 N4
• Molecular Weight: 220.233
• NSC Number: 175267
• DSSTox Substance ID: DTXSID90200118
• Nikkaji Number: J542.698G
• Mol file: 52109-67-8.mol

Synonyms:52109-67-8;2,3-Dicyano-5-methyl-6-phenylpyrazine;2,3-Dicyano-6-methyl-5-phenylpyrazine;5-methyl-6-phenylpyrazine-2,3-dicarbonitrile;2,3-Pyrazinedicarbonitrile, 5-methyl-6-phenyl-;5-Methyl-6-phenyl-2,3-pyrazinedicarbonitrile;NSC175267;SCHEMBL19439626;DTXSID90200118;CCA10967;MFCD05863478;NSC 175267;NSC-175267;5-Methyl-6-phenyl-2,3-pyrazinedicarbonitrile #;AQ-917/42754472

Chemical Property of 2,3-Dicyano-5-methyl-6-phenylpyrazine

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Boiling Point: 429.2°C at 760 mmHg
• Flash Point: 140.2°C
• PSA: 73.36000
• Density: 1.28g/cm³
• LogP: 2.19536
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.074896272
• Heavy Atom Count: 17
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dicyano-6-methyl-5-phenylpyrazine, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(C(=N1)C#N)C#N)C2=CC=CC=C2

Technology Process of 2,3-Dicyano-5-methyl-6-phenylpyrazine

There total 3 articles about 2,3-Dicyano-5-methyl-6-phenylpyrazine 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: 86.0%

2,3-diaminomaleonitrile (18514-52-8) + 1-Phenylpropane-1,2-dione (579-07-7) → 2,3-dicyano-5-methyl-6-phenylpyrazine (52109-67-8)

Guidance literature:

In neat (no solvent); at 20 ℃; for 7h; Green chemistry;

DOI:10.2174/1570178614666170609072519

Reference yield: 82.0%

diaminomaleonitrile (1187-42-4) + 1-Phenylpropane-1,2-dione (579-07-7) → 2,3-dicyano-5-methyl-6-phenylpyrazine (52109-67-8)

Guidance literature:

With hydrogenchloride; In ethanol; for 0.5h; Heating;

DOI:10.1246/bcsj.79.799

Reference yield:

→ 2,3-dicyano-5-methyl-6-phenylpyrazine (52109-67-8)

Guidance literature:

N,N'-Dichlor-diiminosuccinonitril, β-Methyl-styrol;

DOI:10.1021/jo00937a014

upstream raw materials:

diaminomaleonitrile

1-Phenylpropane-1,2-dione

2,3-diaminomaleonitrile

Downstream raw materials:

2,3-dicyano-5-[2-(9-julolidyl)-ethenyl]-6-phenylpyrazine

5-Methyl-6-phenyl-pyrazine-2,3-dicarboxylic acid dimethyl ester

5-Methyl-6-phenyl-pyrazine-2,3-dicarboxylic acid diamide

5-Methyl-6-phenyl-pyrazine-2,3-dicarboxylic acid

Refernces

• 1、 Chakraborty, Rakesh Ranjan,Singha, Rabindranath,Ghosh, Pranab. "Silica gel an efficient catalyst for one-pot synthesis of pyrazines from ethylenediamine and 1, 2-diketones and their analogs". . p. 373 - 378. Retrieved 2018/09/29.
• 2、 Popp. "Synthesis of potential antineoplastic agents. XXIV. Reaction of diaminomaleonitrile with 1,2 diones". . p. 79 - 82. Retrieved 2007/10/07.