3-Methyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine

Base Information

• Chemical Name: 3-Methyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
• CAS No.: 78605-13-7
• Molecular Formula: C13H11 N3
• Molecular Weight: 209.2465
• NSC Number: 368288
• DSSTox Substance ID: DTXSID10419604
• ChEMBL ID: CHEMBL311935

Synonyms:3-Methyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine;78605-13-7;NSC368288;SCHEMBL490618;BDBM7388;CHEMBL311935;DTXSID10419604;NSC-368288;3-methyl-6-phenyl[5h]pyrrolo[2,3-b]pyrazine

Chemical Property of 3-Methyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.231g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C2C=C(NC2=N1)C3=CC=CC=C3

Technology Process of 3-Methyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine

There total 3 articles about 3-Methyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine 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: 26.0%

2,5-dimethyl-pyrazine (123-32-0) + benzonitrile (100-47-0) → 3-methyl-6-phenyl-[5H]pyrrolo[2,3-b]pyrazine (78605-13-7) + (Z)-2-(5-Methyl-pyrazin-2-yl)-1-phenyl-vinylamine

Guidance literature:

2,5-dimethyl-pyrazine; With lithium diisopropyl amide; In tetrahydrofuran; at -40 ℃; for 0.5h;

benzonitrile; In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1021/jm020319p

Reference yield: 26.0%

2,5-dimethyl-pyrazine (123-32-0) + benzonitrile (100-47-0) → (Z)-2-(5-Methyl-pyrazin-2-yl)-1-phenyl-ethenol (78605-12-6) + 3-methyl-6-phenyl-[5H]pyrrolo[2,3-b]pyrazine (78605-13-7)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 18 ℃; for 3h;

DOI:10.1016/S0040-4039(01)90279-5

Reference yield:

→ 3-methyl-6-phenyl-[5H]pyrrolo[2,3-b]pyrazine (78605-13-7)

Guidance literature:

upstream raw materials:

2,5-dimethyl-pyrazine

benzonitrile

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