2-Chloro-6-(trifluoromethyl)pyrazine

Base Information

• Chemical Name: 2-Chloro-6-(trifluoromethyl)pyrazine
• CAS No.: 61655-69-4
• Molecular Formula: C5H2ClF3N2
• Molecular Weight: 182.532
• Hs Code.: 2933998090
• European Community (EC) Number: 874-755-7
• DSSTox Substance ID: DTXSID60606047
• Wikidata: Q82504585
• Mol file: 61655-69-4.mol

Synonyms:2-chloro-6-(trifluoromethyl)pyrazine;61655-69-4;MFCD13189477;2-Chloro-6-trifluoromethylpyrazine;Pyrazine, 2-chloro-6-(trifluoromethyl)-;SCHEMBL1578440;AMY3127;DTXSID60606047;ZCRFOAFODJMVOG-UHFFFAOYSA-N;BCP34635;BBL102782;STL556588;2-chloro-6-(trifluoromethyl)-pyrazine;AKOS016005905;AB68486;FS-5329;DA-26429;SY047699;2-Chloro-6-(trifluoromethyl)-1,4-diazine;CS-0138340;EN300-115623;N12305;A855368;Z1255432787

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

Chemical Property:

• Boiling Point: 141.2±35.0 °C(Predicted)
• PKA: -3.13±0.10(Predicted)
• Density: 1.504±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 181.9858603
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

96% ^*data from raw suppliers

2-Chloro-6-(trifluoromethyl)pyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(C=N1)Cl)C(F)(F)F

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

There total 3 articles about 2-Chloro-6-(trifluoromethyl)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:

2-trifluoromethyl-pyrazine 4-oxide (61655-68-3) → 2-chloro-6-(trifluoromethyl)pyrazine (61655-69-4)

Guidance literature:

2-trifluoromethyl-pyrazine 4-oxide; With trichlorophosphate; at 100 ℃; for 2h;

With sodium hydrogencarbonate; In water; Cooling;

Reference yield:

2-(trifluoromethyl)pyrazine (61655-67-2) → 2-chloro-6-(trifluoromethyl)pyrazine (61655-69-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dihydrogen peroxide; acetic acid / water / 72 h / 70 °C

2.1: trichlorophosphate / 2 h / 100 °C

2.2: Cooling

With dihydrogen peroxide; acetic acid; trichlorophosphate; In water;

Reference yield:

→ 2-chloro-6-(trifluoromethyl)pyrazine (61655-69-4)

Guidance literature:

2-Trifluormethylpyrazin-4-oxid, Phenylsulfonylchlorid;

DOI:10.1021/jm00204a007

upstream raw materials:

2-(trifluoromethyl)pyrazine

2-trifluoromethyl-pyrazine 4-oxide

Downstream raw materials:

methyl 6-(trifluoromethyl)pyrazine-2-carboxylate

Refernces

• 1、 Lumma et al.. "Piperazinylpyrazines with central serotoninmimetic activity.". . p. 536,538. Retrieved 2007/10/04.