4-Quinolinol, 3-iodo-2-methyl-

Base Information

• Chemical Name: 4-Quinolinol, 3-iodo-2-methyl-
• CAS No.: 64965-49-7
• Molecular Formula: C10H8INO
• Molecular Weight: 285.084
• Hs Code.: 2933491090
• DSSTox Substance ID: DTXSID801306849
• Mol file: 64965-49-7.mol

Synonyms:3-Iodo-2-methylquinolin-4-ol;64965-49-7;4-Quinolinol, 3-iodo-2-methyl-;3-Iodo-2-methylquinolin-4(1H)-one;1228284-02-3;4-Hydroxy-3-iodo-2-methylquinoline;3-iodo-2-methyl-1H-quinolin-4-one;SCHEMBL12989093;DTXSID801306849;CS-M3204;MFCD24368411;AKOS037650533;SB70676;CS-14940;C12899

Chemical Property of 4-Quinolinol, 3-iodo-2-methyl-

Chemical Property:

• PSA: 33.12000
• LogP: 2.85340
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 284.96506
• Heavy Atom Count: 13
• Complexity: 272

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Quinolinol,3-iodo-2-methyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=CC=CC=C2N1)I

Technology Process of 4-Quinolinol, 3-iodo-2-methyl-

There total 5 articles about 4-Quinolinol, 3-iodo-2-methyl- 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: 99.0%

2-methyl-1H-quinolin-4-one (5660-24-2) → 3-iodo-2-methylquinolin-4(1H)-one (1228284-02-3,64965-49-7)

Guidance literature:

With iodine; N-butylamine; potassium iodide; In water; N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/jm500147k

Reference yield: 98.0%

4-hydroxy-2-methylquinoline (607-67-0) → 4-hydroxy-3-iodo-2-methylquinoline (64965-49-7)

Guidance literature:

With iodine; sodium iodide; sodium hydroxide; In water; acetonitrile; at 10 ℃;

Reference yield:

aniline (62-53-3) → 3-iodo-2-methylquinolin-4(1H)-one (1228284-02-3,64965-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / benzene / 18 h / 100 °C / Inert atmosphere

1.2: Reflux; Inert atmosphere

2.1: iodine; potassium iodide; sodium hydroxide / water / 20 °C / Inert atmosphere

With iodine; acetic acid; potassium iodide; sodium hydroxide; In water; benzene; 1.1: Conrad-Limpach synthesis / 1.2: Conrad-Limpach synthesis;

DOI:10.1021/jo1014504

upstream raw materials:

4-hydroxy-2-methylquinoline

2-methyl-1H-quinolin-4-one

aniline

acetoacetic acid-ethylester-anil

Downstream raw materials:

4-chloro-3-iodo-2-methylquinoline

methyl (S)-2-(4-chloro-2-methylquinolin-3-yl)-2-hydroxyacetate

C₂₈H₂₈N₂O₄

BI-224436