2-Chloro-6-(4-(trifluoromethyl)phenyl)pyrazine

Base Information

• Chemical Name: 2-Chloro-6-(4-(trifluoromethyl)phenyl)pyrazine
• CAS No.: 637352-84-2
• Molecular Formula: C11H6ClF3N2
• Molecular Weight: 258.63
• DSSTox Substance ID: DTXSID60593887
• Wikidata: Q82488519
• Mol file: 637352-84-2.mol

Synonyms:2-chloro-6-(4-(trifluoromethyl)phenyl)pyrazine;637352-84-2;2-CHLORO-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRAZINE;2-chloro-6-(4-(trifluoromethyl)phenyl]pyrazine;SCHEMBL4439117;DTXSID60593887;AKOS014987259;DB-303170;2-chloranyl-6-[4-(trifluoromethyl)phenyl]pyrazine;A834492;J-508894

Chemical Property of 2-Chloro-6-(4-(trifluoromethyl)phenyl)pyrazine

Chemical Property:

• PSA: 25.78000
• LogP: 3.81580
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.0171604
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-(4-(trifluoromethyl)phenyl)pyrazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=CC(=N2)Cl)C(F)(F)F

Technology Process of 2-Chloro-6-(4-(trifluoromethyl)phenyl)pyrazine

There total 3 articles about 2-Chloro-6-(4-(trifluoromethyl)phenyl)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: 50.0%

→ 2-chloro-6-(4-trifluoromethylphenyl)-pyrazine (637352-84-2)

Guidance literature:

Reference yield:

2,6-dichloropyrazine (4774-14-5) + 4-trifluoromethylphenylboronic acid (128796-39-4) → 2-chloro-6-(4-trifluoromethylphenyl)-pyrazine (637352-84-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; for 48h; Inert atmosphere; Reflux;

Reference yield:

2-chloro-6-(tri-n-butylstannyl)pyrazine (850221-68-0) + 4-trifluoromethyl-phenyl acetyl chloride (329-15-7) → 2-chloro-6-(4-trifluoromethylphenyl)-pyrazine (637352-84-2) + 2-chloro-6-{(4-trifluoromethylphenyl)carbonyl}pyrazine

Guidance literature:

With triethylsilane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 120 ℃; for 2.5h; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.152466

upstream raw materials:

2,6-dichloropyrazine

4-trifluoromethylphenylboronic acid

2-chloro-6-(tri-n-butylstannyl)pyrazine

4-trifluoromethyl-phenyl acetyl chloride

Downstream raw materials:

2-(4-trifluoromethyl-phenyl)-6-vinyl-pyrazine

ethyl {4-[((2-methoxyethyl){6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl}amino)methyl]-2-methylphenoxy}acetate

ethyl {4-[(butyl{6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl}amino)methyl]-2-methylphenoxy}acetate

ethyl {2-ethyl-4-[((2-methyloxyethyl){6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl}amino)methyl]phenoxy}acetate