3-Iodoquinolin-2(1H)-one

Base Information

• Chemical Name: 3-Iodoquinolin-2(1H)-one
• CAS No.: 335649-85-9
• Molecular Formula: C9H6INO
• Molecular Weight: 271.057
• DSSTox Substance ID: DTXSID10465186
• Wikidata: Q82290950
• Mol file: 335649-85-9.mol

Synonyms:3-Iodoquinolin-2(1H)-one;335649-85-9;3-iodo-1H-quinolin-2-one;3-iodo-quinolone;iodo-hydroxyquinoline;3-Iodoquinolin-2-ol;SCHEMBL1394237;DTXSID10465186;ISNNDFAXILDTNJ-UHFFFAOYSA-N;MFCD26793524;SB71010;CS-0437280;FT-0728185

Chemical Property of 3-Iodoquinolin-2(1H)-one

Chemical Property:

• PSA: 33.12000
• LogP: 2.54500
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 270.94941
• Heavy Atom Count: 12
• Complexity: 237

Purity/Quality:

98.5% ^*data from raw suppliers

3-iodoquinolin-2(1H)-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)N2)I

Technology Process of 3-Iodoquinolin-2(1H)-one

There total 13 articles about 3-Iodoquinolin-2(1H)-one 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: 94.0%

2-chloro-3-iodo-quinoline (128676-85-7) → 2-quinolone (59-31-4,70254-42-1,493-62-9) + 3-iodoquinolin-2(1H)-one (335649-85-9)

Guidance literature:

In water; acetic acid;

Reference yield: 90.0%

2-chloro-3-iodo-quinoline (128676-85-7) → 3-iodoquinolin-2-ol (335649-85-9)

Guidance literature:

With hydrogenchloride; water; at 110 ℃;

DOI:10.1002/bkcs.10783

Reference yield: 89.0%

3-iodoquinoline-1-oxide (950856-36-7) → 3-iodoquinolin-2(1H)-one (335649-85-9)

Guidance literature:

With potassium carbonate; benzoyl chloride; In dichloromethane; water; at 0 - 20 ℃;

DOI:10.1016/j.tet.2013.08.019

upstream raw materials:

2-hydroxyquinoline

2-Chloroquinoline

2-chloro-3-iodo-quinoline

3-iodoquinoline-1-oxide

Downstream raw materials:

2-phenyl-furo[2,3-b]quinoline

2-chloro-3-iodo-quinoline

trifluoro-methanesulfonic acid 3-phenyl-quinolin-2-yl ester

4-(3-phenyl-quinolin-2-yl)-benzaldehyde