2,5-Dichloroquinoline

Base Information

• Chemical Name: 2,5-Dichloroquinoline
• CAS No.: 59412-12-3
• Molecular Formula: C9H5Cl2N
• Molecular Weight: 198.051
• Hs Code.: 2933499090
• European Community (EC) Number: 864-368-1
• DSSTox Substance ID: DTXSID00350315
• Nikkaji Number: J90.040K
• Wikidata: Q82126177
• Mol file: 59412-12-3.mol

Synonyms:2,5-dichloroquinoline;59412-12-3;2,5-dichloro-quinoline;Dichloroquinoline(2,5-);MFCD00832074;Quinoline, 2,5-dichloro-;2-chloro-5-chloroquinoline;SCHEMBL239860;DTXSID00350315;RVLOQSXPPSJIMX-UHFFFAOYSA-N;AMY10072;AKOS006272554;CS-W006927;DS-6924;SB67981;SY042387;FT-0693913;EN300-152566;A1-00342;F9995-2624

Chemical Property of 2,5-Dichloroquinoline

Chemical Property:

• Melting Point: 76-77 °C(Solv: hexane (110-54-3))
• Boiling Point: 304.0±22.0 °C(Predicted)
• PKA: -0.77±0.50(Predicted)
• PSA: 12.89000
• Density: 1.407±0.06 g/cm3(Predicted)
• LogP: 3.54160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.9799046
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-Dichloro-quinoline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=N2)Cl)C(=C1)Cl

Technology Process of 2,5-Dichloroquinoline

There total 6 articles about 2,5-Dichloroquinoline 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: 91.0%

5-chloro-2-quinolone (23981-22-8) → 2,5-dichloroquinoline (59412-12-3)

Guidance literature:

With trichlorophosphate; for 3.5h; Heating;

DOI:10.1021/ja0530218

Reference yield: 47.0%

→ 2,5-dichloroquinoline (59412-12-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; for 3.5h;

With trichlorophosphate; In dichloromethane; at 60 ℃; for 3h;

Reference yield: 40.0%

5-chloroquinoline 1-oxide (90224-97-8) → 2,5-dichloroquinoline (59412-12-3)

Guidance literature:

With trichlorophosphate; In dichloromethane; at 40 ℃; for 1.5h;

upstream raw materials:

(E)-N-(3-chlorophenyl)-3-ethoxypropenamide

5-chloroquinoline 1-oxide

5-chloro-2-quinolone

5-Aminoquinoline

Downstream raw materials:

5-chloro-2-(3,5-dimethylphenyl)quinoline

2,5-dichloroquinoline-3-carbaldehyde

N-((S)-1-(5-chloro-2-(3-fluorophenyl)quinolin-3-yl)ethyl)-9H-purin-6-amine

N-((R)-1-(5-chloro-2-(3-fluoro-phenyl)quinolin-3-yl)ethyl)-9H-purin-6-amine

Refernces

• 1、 -. "2-(Substituted ethynyl)quinoline Derivatives as mGLUr5 Antagonists". Paragraph 0085-0086. . Retrieved 2014/08/06.
• 2、 Li, Jian-Sen,Chen, Fa-Xian,Shikiya, Ronald,Marky, Luis A.,Gold, Barry. "Molecular recognition via triplex formation of mixed purine/pyrimidine DNA sequences using oligoTRIPs". . p. 12657 - 12665. Retrieved 2007/10/03.