2-Chloro-3-(trifluoromethyl)quinoxaline

Base Information

• Chemical Name: 2-Chloro-3-(trifluoromethyl)quinoxaline
• CAS No.: 254732-51-9
• Molecular Formula: C9H4ClF3N2
• Molecular Weight: 232.592
• Hs Code.: 2933990090
• European Community (EC) Number: 681-782-6
• DSSTox Substance ID: DTXSID80353021
• Wikidata: Q82130471
• Mol file: 254732-51-9.mol

Synonyms:2-chloro-3-(trifluoromethyl)quinoxaline;254732-51-9;Quinoxaline, 2-chloro-3-(trifluoromethyl)-;MFCD00243891;2-CHLORO-3-(TRIFLUOROMETHYL) QUINOXALINE;CBDivE_012686;SCHEMBL1258656;DTXSID80353021;HMS1579N01;AKOS000265478;CS-0155914;AB00075866-01;10.14272/DSMMAQWRRJQVTQ-UHFFFAOYSA-N.1;10J-003;2-Chloro-3-(trifluoromethyl)quinoxaline, AldrichCPR;doi:10.14272/DSMMAQWRRJQVTQ-UHFFFAOYSA-N.1

Chemical Property of 2-Chloro-3-(trifluoromethyl)quinoxaline

Chemical Property:

• Boiling Point: 251.7±35.0 °C(Predicted)
• PKA: -5.42±0.48(Predicted)
• PSA: 25.78000
• Density: 1.496±0.06 g/cm3(Predicted)
• LogP: 3.30200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 232.0015103
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-3-(trifluoromethyl)quinoxaline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(F)(F)F

Technology Process of 2-Chloro-3-(trifluoromethyl)quinoxaline

There total 4 articles about 2-Chloro-3-(trifluoromethyl)quinoxaline 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: 96.0%

3-(trifluoromethyl)quinoxalin-2(1H)-one (58457-64-0) → 2-chloro-3-(trifluoromethyl)quinoxaline (254732-51-9)

Guidance literature:

With trichlorophosphate; for 2h; Reflux;

DOI:10.1016/j.ejmech.2021.113722

Reference yield:

3-(trifluoromethyl)quinoxalin-2-ol (58457-64-0) → 2-chloro-3-(trifluoromethyl)quinoxaline (254732-51-9)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; for 1h; Reflux;

Reference yield:

1,2-diamino-benzene (95-54-5) → 2-chloro-3-(trifluoromethyl)quinoxaline (254732-51-9)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 16 h / 5 - 20 °C / Inert atmosphere; Sealed tube

2: trichlorophosphate / 4 h / Inert atmosphere; Reflux

With trichlorophosphate; In tetrahydrofuran;

DOI:10.1007/s10593-015-1694-5

upstream raw materials:

3-(trifluoromethyl)quinoxalin-2(1H)-one

3-(trifluoromethyl)quinoxalin-2-ol

1,2-diamino-benzene

Downstream raw materials:

4-(3-(trifluoromethyl)quinoxalin-2-yl)phenol

2-(p-tolyl)-3-(trifluoromethyl)quinoxaline