2-Methylquinolin-8-ol 1-oxide

Base Information

• Chemical Name: 2-Methylquinolin-8-ol 1-oxide
• CAS No.: 63543-87-3
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.18400
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID00390534
• Wikidata: Q82187364
• ChEMBL ID: CHEMBL1562199
• Mol file: 63543-87-3.mol

Synonyms:63543-87-3;2-methylquinolin-8-ol 1-oxide;8-Hydroxy-2-methylquinoline 1-oxide;2-methyl-1-oxidoquinolin-1-ium-8-ol;CHEMBRDG-BB 5175127;8-HYDROXY-2-METHYLQUINOLIN-1-IUM-1-OLATE;2-methyl-8-quinolinol 1-oxide;SMR000019049;8-hydroxyquinaldine 1-oxide;MLS000084702;2-Methyl-8-quinolinol1-oxide;CHEMBL1562199;DTXSID00390534;HMS2385P22;8-Hydroxy-2-methylquinoline1-oxide;MFCD00168978;AKOS001591562;BS-38223;2-Methyl-1-oxo-1lambda~5~-quinolin-8-ol;EU-0067082

Chemical Property of 2-Methylquinolin-8-ol 1-oxide

Chemical Property:

• PSA: 45.69000
• LogP: 2.28230
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

98% ^*data from raw suppliers

2-methyl-8-quinolinol1-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=C(C=CC=C2O)C=C1)[O-]

Technology Process of 2-Methylquinolin-8-ol 1-oxide

There total 7 articles about 2-Methylquinolin-8-ol 1-oxide 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: 62.0%

8-Hydroxyquinoline-N-oxide (1127-45-3) + tert-butyl alcohol (75-65-0) → 8-hydroxy-2-methylquinoline 1-oxide (63543-87-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; potassium carbonate; at 120 ℃; for 4h; regioselective reaction; Sealed tube;

DOI:10.1002/adsc.201701330

Reference yield: 56.0%

8-Hydroxyquinoline-N-oxide (1127-45-3) + 1-methyl-1-phenylethyl alcohol (617-94-7) → 8-hydroxy-2-methylquinoline 1-oxide (63543-87-3)

Guidance literature:

With [bis(acetoxy)iodo]benzene; potassium carbonate; In toluene; at 120 ℃; for 4h; regioselective reaction; Sealed tube;

DOI:10.1002/adsc.201701330

Reference yield: 55.0%

8-Hydroxyquinoline-N-oxide (1127-45-3) + toluene (108-88-3,15644-74-3,16713-13-6) → 8-hydroxy-2-methylquinoline 1-oxide (63543-87-3)

Guidance literature:

With bis(1-methyl-1-phenylethyl)peroxide; at 110 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1039/c6nj02560a

upstream raw materials:

2-methyl-8-quinolinol

8-Hydroxyquinoline-N-oxide

toluene

tert-butyl alcohol