5,6-Dimethyl-2,3-pyrazinedicarbonitrile

Base Information

• Chemical Name: 5,6-Dimethyl-2,3-pyrazinedicarbonitrile
• CAS No.: 40227-17-6
• Molecular Formula: C8H6N4
• Molecular Weight: 158.16
• European Community (EC) Number: 620-615-3
• NSC Number: 172775
• DSSTox Substance ID: DTXSID90305935
• Nikkaji Number: J454.802G
• Wikidata: Q82052765
• Mol file: 40227-17-6.mol

Synonyms:5,6-Dimethyl-2,3-pyrazinedicarbonitrile;40227-17-6;5,6-dimethylpyrazine-2,3-dicarbonitrile;2,3-Dicyano-5,6-dimethylpyrazine;NSC172775;starbld0001248;DIMETHYLPYRAZINE-2,3-DICARBONITRILE;Maybridge1_007420;SCHEMBL2488974;HMS562J06;DTXSID90305935;VPRRXMCIOHZBCX-UHFFFAOYSA-N;CCG-47672;AKOS000268643;NSC-172775;5,6-dimethyl-pyrazine-2,3-dicarbonitrile;5,6-Dimethyl-2,3-pyrazinedicarbonitrile #;5,6-Dimethyl-2,3-pyrazinedicarbonitrile, 99%;SR-01000637273-1

Chemical Property of 5,6-Dimethyl-2,3-pyrazinedicarbonitrile

Chemical Property:

• Vapor Pressure: 8.8E-07mmHg at 25°C
• Melting Point: 168-170 °C (dec.)(lit.)
• Refractive Index: 1.549
• Boiling Point: 405.4 °C at 760 mmHg
• PKA: -6.50±0.10(Predicted)
• Flash Point: 134.8 °C
• PSA: 73.36000
• Density: 1.23 g/cm³
• LogP: 0.83676
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 158.059246208
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

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

5,6-Dimethyl-2,3-pyrazinedicarbonitrile 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5,6-Dimethyl-2,3-pyrazinedicarbonitrile

There total 6 articles about 5,6-Dimethyl-2,3-pyrazinedicarbonitrile 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: 96.0%

dimethylglyoxal (431-03-8) + diaminomaleonitrile (1187-42-4) → 5,6-dimethylpyrazine-2,3-dicarbonitrile (40227-17-6)

Guidance literature:

With SBA-15 mesoporous silica supported Fe(III)-Schiff base; In water; for 0.5h; Reflux;

DOI:10.1007/s11243-013-9772-y

Reference yield: 95.0%

dimethylglyoxal (431-03-8) + 2,3-diaminomaleonitrile (18514-52-8) → 5,6-dimethylpyrazine-2,3-dicarbonitrile (40227-17-6)

Guidance literature:

With Cu(II)-Schiff base/SBA-15; In water; for 0.5h; Reflux;

DOI:10.1016/j.catcom.2012.06.028

Reference yield: 90.0%

3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) + diaminomaleonitrile (1187-42-4) → 5,6-dimethylpyrazine-2,3-dicarbonitrile (40227-17-6)

Guidance literature:

With ammonium cerium(IV) nitrate; air; In water; at 20 ℃; for 0.75h;

DOI:10.1248/cpb.56.79

upstream raw materials:

dimethylglyoxal

diaminomaleonitrile

3-hydroxy-2-butanon

2,3-diaminomaleonitrile

Downstream raw materials:

[Fe((ONC(C₆H₅))2)2(BF)2((ONCCl)ONCCH₂(C₄N₂)(CN)2(CH₃))]

5,6-Dimethyl-2,3-pyrazindicarboximid

5,6-dimethyl-pyrazine-2,3-dicarboxylic acid diamide

2-allyl-3-cyano-5,6-dimethylpyrazine

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