2,4,7-Trichloroquinoline

Base Information

• Chemical Name: 2,4,7-Trichloroquinoline
• CAS No.: 1677-49-2
• Molecular Formula: C9H4 Cl3 N
• Molecular Weight: 232.4938
• Hs Code.: 2933499090
• NSC Number: 131496
• DSSTox Substance ID: DTXSID50299588
• Wikidata: Q72510442
• Mol file: 1677-49-2.mol

Synonyms:2,4,7-trichloroquinoline;1677-49-2;NSC 131496;NSC131496;2,4,7-Trichlorchinolin;Quinoline, 2,4,7-trichloro-;SCHEMBL5638415;DTXSID50299588;BCP06152;MFCD00830403;AKOS015998901;GS-0640;NSC-131496;SB71682;2,4,7-Trichloroquinoline;FT-0689802

Chemical Property of 2,4,7-Trichloroquinoline

Chemical Property:

• Vapor Pressure: 0.000561mmHg at 25°C
• Melting Point: 106.5-107.5℃
• Boiling Point: 321.4°Cat760mmHg
• PKA: -2.69±0.50(Predicted)
• Flash Point: 177.8°C
• PSA: 12.89000
• Density: 1.523g/cm³
• LogP: 4.19500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.940932
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

2,4,7-Trichloroquinoline >97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)N=C(C=C2Cl)Cl

Technology Process of 2,4,7-Trichloroquinoline

There total 12 articles about 2,4,7-Trichloroquinoline 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%

malonic acid (141-82-2) + 3-chloro-aniline (108-42-9) → 2,4,7-trichloroquinoline (1677-49-2)

Guidance literature:

With trichlorophosphate; for 5h;

DOI:10.1007/s11164-013-1085-4 DOI:10.2174/1573406411666150430132055

Reference yield: 3.0%

malonic acid (141-82-2) + 3-chloro-aniline (108-42-9) → 2,4,7-trichloroquinoline (1677-49-2) + 2,4,5-trichloroquinoline

Guidance literature:

With trichlorophosphate; for 3h; Heating;

Reference yield:

4,7-dichloro-1-methyl-1H-quinolin-2-one (98994-41-3) → 2,4,7-trichloroquinoline (1677-49-2)

Guidance literature:

With para-dichlorobenzene; phosphorus pentachloride; at 220 ℃;

DOI:10.1021/ja01213a041

upstream raw materials:

7-chloroquinoline-2,4-diol

4,7-dichloro-1-methyl-1H-quinolin-2-one

malonic acid

3-chloro-aniline

Downstream raw materials:

ethyl 4-(3-(2,7-dichloroquinolin-4-yloxy)phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

diethyl 4-(4-(2,7-dichloroquinolin-4-yloxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(4-(2,7-dichloroquinolin-4-yloxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate