4-Methylquinoline 1-oxide

Base Information

• Chemical Name: 4-Methylquinoline 1-oxide
• CAS No.: 4053-40-1
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• European Community (EC) Number: 832-372-2
• Nikkaji Number: J85.345C
• Mol file: 4053-40-1.mol

Synonyms:4-Methylquinoline 1-oxide;4053-40-1;Lepidine N-oxide;4-methyl-1-oxidoquinolin-1-ium;4-Methylquinoline oxide;LEPIDINE, 1-OXIDE;Quinoline, 4-methyl-, 1-oxide;4-METHYLQUINOLIN-1-IUM-1-OLATE;4-Methylquinoline N-oxide;SCHEMBL5784218;AC8129;MFCD01716318;LS-87755;SY179427;EN300-42294

Chemical Property of 4-Methylquinoline 1-oxide

Chemical Property:

• Vapor Pressure: 0.000831mmHg at 25°C
• Refractive Index: 1.5460 (estimate)
• Boiling Point: 315°Cat760mmHg
• Flash Point: 144.3°C
• PSA: 25.46000
• Density: 1.1g/cm³
• LogP: 2.57670
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

LEPIDINE-N-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=[N+](C2=CC=CC=C12)[O-]

Technology Process of 4-Methylquinoline 1-oxide

There total 5 articles about 4-Methylquinoline 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: 29.1%

C6H4NCH2CHCCH2 (491-35-0) + adamantane (281-23-2) → 4-methylquinoline 1-oxide (4053-40-1) + 1-adamanthanol (768-95-6) + 4-methyl-2-(tricyclo[3.3.1.13,7]dec-1-yl)quinolone (77492-66-1)

Guidance literature:

With 3,3-dimethyldioxirane; trifluoroacetic acid; In acetone; at 50 ℃;

DOI:10.1016/0040-4039(95)00106-M

Reference yield: 1.1%

C6H4NCH2CHCCH2 (491-35-0) + pivalaldehyde (630-19-3) → 4-methylquinoline 1-oxide (4053-40-1) + 2-tert-butyl-4-methylquinoline (97691-25-3) + 2-pivaloyl-4-methylquinoline

Guidance literature:

With 3,3-dimethyldioxirane; trifluoroacetic acid; In acetone; at 0 ℃;

DOI:10.1016/0040-4039(95)00106-M

Reference yield:

C6H4NCH2CHCCH2 (491-35-0) → 4-methylquinoline 1-oxide (4053-40-1) + 4-carboxyquinoline 1-oxide (40614-43-5) + 4-quinolinic acid (486-74-8)

Guidance literature:

With acetyl peroxyborate; In water; at 124.84 ℃; for 4h;

DOI:10.1002/chem.200701679

upstream raw materials:

C₆H₄NCH₂CHCCH₂

adamantane

pivalaldehyde

water

Downstream raw materials:

3-hydroxy-4-methylquinoline

4-quinolylmethanol

4-methylquinolin-2-ol

4-(chloromethyl)quinoline

Refernces

• 1、 Minisci, Francesco,Zhao, Lihua,Fontana, Francesca,Bravo, Anna. "Trapping of free-radicals in the oxidation of ethers, aldehydes and alkanes by dimethyldioxirane". . p. 1895 - 1898. Retrieved 2007/10/02.