5-Bromo-2,3-dimethylpyrazine

Base Information

• Chemical Name: 5-Bromo-2,3-dimethylpyrazine
• CAS No.: 111454-68-3
• Molecular Formula: C6H7BrN2
• Molecular Weight: 187.039
• Hs Code.: 2933990090
• European Community (EC) Number: 841-567-1
• DSSTox Substance ID: DTXSID00696442
• Wikidata: Q82626027
• Mol file: 111454-68-3.mol

Synonyms:5-Bromo-2,3-dimethylpyrazine;111454-68-3;Pyrazine, 5-bromo-2,3-dimethyl-;MFCD12404946;SCHEMBL11985907;DTXSID00696442;AKOS016002784;DS-3534;SY116293;CS-0061385;EN300-132920;Y10500;A894740;Z1416194403

Chemical Property of 5-Bromo-2,3-dimethylpyrazine

Chemical Property:

• Boiling Point: 218.0±35.0 °C(Predicted)
• PKA: -0.16±0.10(Predicted)
• PSA: 25.78000
• Density: 1.500±0.06 g/cm3(Predicted)
• LogP: 1.85590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.97926
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-Bromo-2,3-dimethylpyrazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N=C1C)Br

Technology Process of 5-Bromo-2,3-dimethylpyrazine

There total 1 articles about 5-Bromo-2,3-dimethylpyrazine 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:

2,3-Dimethyl-5-hydroxypyrazine (57229-36-4) → 5-bromo-2,3-dimethylpyrazine (111454-68-3)

Guidance literature:

With phosphorus tribromide;

DOI:10.1021/ja01591a029

Reference yield: 76.0%

5-bromo-2,3-dimethylpyrazine (111454-68-3) + 1-amino-3-methylbenzene (108-44-1) → C13H15N3

Guidance literature:

With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; for 12h; Reflux;

upstream raw materials:

2,3-Dimethyl-5-hydroxypyrazine