2-Chloro-6-phenylpyrazine

Base Information

• Chemical Name: 2-Chloro-6-phenylpyrazine
• CAS No.: 41270-62-6
• Molecular Formula: C10H7ClN2
• Molecular Weight: 190.632
• Hs Code.: 2933990090
• European Community (EC) Number: 856-212-6
• DSSTox Substance ID: DTXSID30410638
• Nikkaji Number: J2.861.346F
• Wikidata: Q82216835
• Mol file: 41270-62-6.mol

Synonyms:2-Chloro-6-phenylpyrazine;41270-62-6;SCHEMBL319173;2-chloranyl-6-phenyl-pyrazine;DTXSID30410638;XSCFGLUXJLGZJE-UHFFFAOYSA-N;AMY41461;MFCD03861157;AKOS006278647;AB16842;AC-9438;DS-6062;CS-0156385;FT-0727759;A51078;EN300-114841;2-Methoxy-4-methyl-1,3-thiazole-5-carboxylicacid;A825497;J-508986;Z1198163524

Chemical Property of 2-Chloro-6-phenylpyrazine

Chemical Property:

• PSA: 25.78000
• LogP: 2.79700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.0297759
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-phenylpyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=CC(=N2)Cl

Technology Process of 2-Chloro-6-phenylpyrazine

There total 17 articles about 2-Chloro-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: 75.0%

2,6-dichloropyrazine (4774-14-5) + phenylboronic acid (98-80-6) → 2-chloro-6-phenylpyrazine (41270-62-6)

Guidance literature:

With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,2-dimethoxyethane; water; at 120 ℃; for 0.25h; Microwave irradiation;

Reference yield: 61.0%

2-phenylpyrazine N(1)-oxide (58861-89-5) → 2-chloro-3-phenylpyrazine (41270-65-9) + 2-chloro-6-phenylpyrazine (41270-62-6)

Guidance literature:

With trichlorophosphate; for 1h; Heating;

Reference yield:

phenylglyoxal hydrate (1074-12-0) → 2-chloro-6-phenylpyrazine (41270-62-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 34 percent / KOH / ethanol / 5 h / Heating

2: 76 percent / 90percent H₂O₂, maleic anhydride / CH₂Cl₂ / 1) r.t., overnight, 2) reflux, 2 h

3: 1 h / Heating

4: 10percent KOH / methanol / 1 h / Heating

5: POCl₃, PCl₅ / 1 h / 160 °C

With maleic anhydride; potassium hydroxide; phosphorus pentachloride; dihydrogen peroxide; trichlorophosphate; In methanol; ethanol; dichloromethane;

upstream raw materials:

6-phenyl-1H-pyrazin-2-one

2-phenylpyrazine N⁽¹⁾-oxide

2-phenylpyrazine 4-oxide

3-chloro-5-phenylpyrazine 1-oxide

Downstream raw materials:

2,3-dichloro-5-phenylpyrazine

2,5-dichloro-6-phenylpyrazine

2-hydroxy-6-phenylpyrazine 4-oxide

tert-butyl 5-methyl-3-(6-phenylpyrazin-2-ylamino)-1H-pyrazole-1-carboxylate