5-(Isopropoxymethyl)-8-quinolinol

Base Information

• Chemical Name: 5-(Isopropoxymethyl)-8-quinolinol
• CAS No.: 22049-21-4
• Molecular Formula: C₁₃H₁₅NO₂
• Molecular Weight: 217.268
• DSSTox Substance ID: DTXSID201278921
• Nikkaji Number: J2.159.240D
• Mol file: 22049-21-4.mol

Synonyms:22049-21-4;5-(ISOPROPOXYMETHYL)-8-QUINOLINOL;5-(Isopropoxymethyl)quinolin-8-ol;5-(propan-2-yloxymethyl)quinolin-8-ol;5-[(propan-2-yloxy)methyl]quinolin-8-ol;CHEMBRDG-BB 5741970;Oprea1_019912;Oprea1_061020;SCHEMBL17799263;DTXSID201278921;MFCD00741989;5-(Isopropyloxymethyl)quinoline-8-ol;AKOS022184411;ET-0008;SB70566;5-[(1-Methylethoxy)methyl]-8-quinolinol;CS-0450009

Chemical Property of 5-(Isopropoxymethyl)-8-quinolinol

Chemical Property:

• Vapor Pressure: 7.22E-06mmHg at 25°C
• Melting Point: 65-66 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 365.9±27.0 °C(Predicted)
• PKA: 4.83±0.10(Predicted)
• Density: 1.157±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

5-(isopropoxymethyl)-8-quinolinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OCC1=C2C=CC=NC2=C(C=C1)O

Technology Process of 5-(Isopropoxymethyl)-8-quinolinol

There total 2 articles about 5-(Isopropoxymethyl)-8-quinolinol 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: 54.0%

5-chloromethyl-8-hydroxyquinoline hydrochloride (4053-45-6) + isopropyl alcohol (67-63-0,8013-70-5) → 5-Isopropoxymethyl-8-hydroxy-chinolin (22049-21-4)

Guidance literature:

5-chloromethyl-8-hydroxyquinoline hydrochloride; isopropyl alcohol; Reflux;

With ammonium hydroxide; In diethyl ether;

DOI:10.1016/j.molstruc.2016.11.090

Reference yield:

→ 5-Isopropoxymethyl-8-hydroxy-chinolin (22049-21-4)

Guidance literature:

5-Chlormethyl-8-chinolinol-hydrochlorid, Isopropylalkohol, Natriumbicarbonat;

DOI:10.1021/jo01068a104

upstream raw materials:

5-chloromethyl-8-hydroxyquinoline hydrochloride

isopropyl alcohol

Refernces