4,6-Dichloroquinoline

Base Information

• Chemical Name: 4,6-Dichloroquinoline
• CAS No.: 4203-18-3
• Molecular Formula: C9H5Cl2N
• Molecular Weight: 198.051
• Hs Code.: 2933499090
• European Community (EC) Number: 689-866-4
• DSSTox Substance ID: DTXSID90359074
• Nikkaji Number: J80.768K
• Wikidata: Q72468172
• Mol file: 4203-18-3.mol

Synonyms:4,6-Dichloroquinoline;4203-18-3;QUINOLINE, 4,6-DICHLORO-;MFCD00156141;4,6-dichloro-quinoline;4,6-bis(chloranyl)quinoline;SCHEMBL1888577;DTXSID90359074;4,6-Dichloroquinoline, AldrichCPR;AMY13684;BCP29799;AB2815;BBL028293;STK094485;AKOS002676116;AB04150;CS-W010548;PS-8248;SY019308;D4627;FT-0617249;EN300-67680;A825726;A1-00822;J-650140;Z57262146

Chemical Property of 4,6-Dichloroquinoline

Chemical Property:

• Vapor Pressure: 0.00589mmHg at 25°C
• Melting Point: 104-105 °C
• Refractive Index: 1.66
• Boiling Point: 281.961 °C at 760 mmHg
• PKA: 2.76±0.16(Predicted)
• Flash Point: 151.325 °C
• PSA: 12.89000
• Density: 1.408 g/cm³
• LogP: 3.54160
• XLogP3: 3.6
• 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

4,6-Dichloroquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=NC=CC(=C2C=C1Cl)Cl
• Uses: 4,6-dichloroquinoline is a useful research chemical.

Technology Process of 4,6-Dichloroquinoline

There total 14 articles about 4,6-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: 95.0%

6-chloroquinolin-4(1H)-one (21921-70-0) → 4,6-dichloroquinoline (4203-18-3)

Guidance literature:

6-chloroquinolin-4(1H)-one; With trichlorophosphate; for 3.5h; Heating / reflux;

With ammonia; In dichloromethane; water;

Reference yield: 90.0%

6-chloro-4-hydroxyquinoline (23432-43-1) → 4,6-dichloroquinoline (4203-18-3)

Guidance literature:

With trichlorophosphate; at 140 ℃; for 1h;

DOI:10.1002/jhet.5570340149

Reference yield: 47.0%

→ 4,6-dichloroquinoline (4203-18-3)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 90 ℃; for 1.5h;

upstream raw materials:

6-chloroquinoline N-oxide

6-chloro-4-hydroxyquinoline

5-(((4-chlorophenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

6-chloro-4-hydroxy-3-quinoline carboxylic acid

Downstream raw materials:

6-chloro-4-p-tolylmercapto-quinoline

N-(6-chloro-[4]quinolyl)-o-phenylenediamine

6-Chlor-4-amino-chinolin

4-chloro-6-(4-tolyl)quinoline

Refernces

• 1、 Shaldam, Moataz,Nocentini, Alessio,Elsayed, Zainab M.,Ibrahim, Tamer M.,Salem, Rofaida,El-Domany, Ramadan A.,Capasso, Clemente,Supuran, Claudiu T.,Eldehna, Wagdy M.. "Development of novel quinoline-based sulfonamides as selective cancer-associated carbonic anhydrase isoform ix inhibitors". . . Retrieved 2021/10/19.
• 2、 Marciniec, Krzysztof,Latocha, Ma?gorzata,Boryczka, Stanis?aw,Kurczab, Rafa?. "Synthesis, molecular docking study, and evaluation of the antiproliferative action of a new group of propargylthio- and propargylselenoquinolines". . p. 3468 - 3477. Retrieved 2014/06/24.