5-Methyl-6-phenyl-2,3-dihydropyrazine

Base Information

• Chemical Name: 5-Methyl-6-phenyl-2,3-dihydropyrazine
• CAS No.: 20542-79-4
• Molecular Formula: C11H12N2
• Molecular Weight: 172.23
• DSSTox Substance ID: DTXSID40540137
• Nikkaji Number: J443.729B
• Wikidata: Q82416031

Synonyms:5-methyl-6-phenyl-2,3-dihydropyrazine;20542-79-4;DTXSID40540137

Chemical Property of 5-Methyl-6-phenyl-2,3-dihydropyrazine

Chemical Property:

• Melting Point: 34-37 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Boiling Point: 288.2±23.0 °C(Predicted)
• PSA: 24.72000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 0.82140
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NCCN=C1C2=CC=CC=C2

Technology Process of 5-Methyl-6-phenyl-2,3-dihydropyrazine

There total 3 articles about 5-Methyl-6-phenyl-2,3-dihydropyrazine 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: 95.0%

ethylenediamine (107-15-3,85404-18-8) + 1-Phenylpropane-1,2-dione (579-07-7) → 2,3-dihydro-5-methyl-6-phenylpyrazine (20542-79-4)

Guidance literature:

In water; at 20 ℃; for 0.5h; Green chemistry;

DOI:10.1055/s-0033-1338441

Reference yield: 64.0%

1-Phenyl-2-propyn-1-ol (4187-87-5) + ethylenediamine (107-15-3,85404-18-8) → 2,3-dihydro-5-methyl-6-phenylpyrazine (20542-79-4)

Guidance literature:

With mercury(II) diacetate; In chloroform; for 7h; Heating;

DOI:10.1055/s-1985-31194

Reference yield:

→ 2,3-dihydro-5-methyl-6-phenylpyrazine (20542-79-4)

Guidance literature:

Phenylmethylglyoxal, Ethylendiamin;

upstream raw materials:

1-Phenyl-2-propyn-1-ol

ethylenediamine

1-Phenylpropane-1,2-dione

Downstream raw materials:

1-isocyano-2-(N-benzoylamino)-ethane

7a-Phenyl-5,6,7,7a-tetrahydro-3H-1,2-dioxa-4,7-diaza-indene

C₁₈H₁₇N₃O

C₂₅H₂₂N₄O₂

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