4-Chloro-6-iodoquinoline

Base Information

• Chemical Name: 4-Chloro-6-iodoquinoline
• CAS No.: 40107-07-1
• Molecular Formula: C9H5ClIN
• Molecular Weight: 289.503
• Hs Code.: 2933499090
• European Community (EC) Number: 866-262-0
• DSSTox Substance ID: DTXSID20457719
• Nikkaji Number: J1.686.656C
• Wikidata: Q72452667
• Mol file: 40107-07-1.mol

Synonyms:4-Chloro-6-iodoquinoline;40107-07-1;4-chloro-6-iodo-quinoline;Quinoline, 4-chloro-6-iodo-;6-iodo-4-chloroquinoline;SCHEMBL599869;DTXSID20457719;XPXHGYKMODLJBY-UHFFFAOYSA-N;MFCD06808523;AKOS009581691;METHYLA-AMINOCHLOROPHENYLACETATE;CS-W022157;SB71524;DS-11998;A6701;FT-0646188;EN300-67729

Chemical Property of 4-Chloro-6-iodoquinoline

Chemical Property:

• Vapor Pressure: 0.000193mmHg at 25°C
• Melting Point: 138-140℃
• Refractive Index: 1.726
• Boiling Point: 338.4 °C at 760 mmHg
• PKA: 2.81±0.16(Predicted)
• Flash Point: 158.4 °C
• PSA: 12.89000
• Density: 1.919 g/cm³
• LogP: 3.49280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 288.91552
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-6-iodoquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=CC(=C2C=C1I)Cl

Technology Process of 4-Chloro-6-iodoquinoline

There total 5 articles about 4-Chloro-6-iodoquinoline 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: 92.0%

4-hydroxyl-6-iodoquinoline (342617-07-6,21873-51-8) → 4-chloro-6-iodo-quinoline (40107-07-1)

Guidance literature:

With trichlorophosphate; at 20 ℃; for 1h;

Reference yield: 85.0%

6-iodoquinolin-4(1H)-one (21873-51-8) → 4-chloro-6-iodo-quinoline (40107-07-1)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 1h;

Reference yield: 42.0%

→ 4-chloro-6-iodo-quinoline (40107-07-1)

Guidance literature:

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

upstream raw materials:

4-hydroxyl-6-iodoquinoline

6-iodoquinolin-4(1H)-one

p-aminoiodobenzene

5-{[(4-iodophenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione

Downstream raw materials:

3-[(6-iodo-4-quinolinyl)amino]-4-methylphenol

4-chloro-6-(isopropylthio)quinoline

4-chloro-6-quinolinesulfonyl chloride

4-chloroquinoline-6-carbonitrile

Refernces

• 1、 -. "QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19". Paragraph 0108; 0117-0118; 0120. . Retrieved 2020/03/09.
• 2、 Haile, Pamela A.,Votta, Bartholomew J.,Marquis, Robert W.,Bury, Michael J.,Mehlmann, John F.,Singhaus, Robert,Charnley, Adam K.,Lakdawala, Ami S.,Convery, Máire A.,Lipshutz, David B.,Desai, Biva M.,Swift, Barbara,Capriotti, Carol A.,Berger, Scott B.,Mahajan, Mukesh K.,Reilly, Michael A.,Rivera, Elizabeth J.,Sun, Helen H.,Nagilla, Rakesh,Beal, Allison M.,Finger, Joshua N.,Cook, Michael N.,King, Bryan W.,Ouellette, Michael T.,Totoritis, Rachel D.,Pierdomenico, Maria,Negroni, Anna,Stronati, Laura,Cucchiara, Salvatore,Zió?kowski, Bart?omiej,Vossenk?mper, Anna,MacDonald, Thomas T.,Gough, Peter J.,Bertin, John,Casillas, Linda N.. "The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase". . p. 4867 - 4880. Retrieved 2016/06/13.