2-(Chloromethyl)-6-methylpyrazine

Base Information

• Chemical Name: 2-(Chloromethyl)-6-methylpyrazine
• CAS No.: 81831-69-8
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20529405
• Wikidata: Q82399808
• Mol file: 81831-69-8.mol

Synonyms:2-(chloromethyl)-6-methylpyrazine;81831-69-8;Chloromethyl)-6-methylpyrazine;SCHEMBL2258212;2-chloromethyl-6-methyl-pyrazine;DTXSID20529405;OKRBGEYTNRBJDM-UHFFFAOYSA-N;AKOS006304854;AB60498;Y10493;A864495;J-506313

Chemical Property of 2-(Chloromethyl)-6-methylpyrazine

Chemical Property:

• Boiling Point: 212.0±35.0 °C(Predicted)
• PKA: 0.43±0.10(Predicted)
• PSA: 25.78000
• Density: 1.189±0.06 g/cm3(Predicted)
• LogP: 1.52380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

97% ^*data from raw suppliers

Chloromethyl)-6-methylpyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=CC(=N1)CCl
• Uses: Chloromethyl)-6-methylpyrazine is a reagent used in the synthesis of substituted indazole Nav1.7 blockers for treatment of pain.

Technology Process of 2-(Chloromethyl)-6-methylpyrazine

There total 4 articles about 2-(Chloromethyl)-6-methylpyrazine 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: 51.0%

2,6-dimethylpyrazine (108-50-9) → 6-methyl-2-(chloromethyl)pirazine (81831-69-8)

Guidance literature:

With N-chloro-succinimide; dibenzoyl peroxide; In tetrachloromethane; at 85 ℃; for 19h; Inert atmosphere;

Reference yield: 38.0%

2,6-dimethylpyrazine (108-50-9) → 6-methyl-2-(chloromethyl)pirazine (81831-69-8) + 2-Chloromethyl-6-dichloromethylpyrazine (94127-03-4) + 2,6-bis(chloromethyl)pyrazine (86045-21-8)

Guidance literature:

With N-chloro-succinimide; dibenzoyl peroxide; In tetrachloromethane; for 24h; Heating;

Reference yield: 25.0%

2,6-dimethylpyrazine (108-50-9) → 6-methyl-2-(chloromethyl)pirazine (81831-69-8) + 2-Chloromethyl-6-dichloromethylpyrazine (94127-03-4) + 2-Dichloromethyl-6-methyl-pyrazine (94127-02-3) + 2,6-bis(chloromethyl)pyrazine (86045-21-8)

Guidance literature:

With N-chloro-succinimide; Perbenzoic acid; In tetrachloromethane; for 24h; Heating;

DOI:10.1055/s-1984-30930

upstream raw materials:

2,6-dimethylpyrazine