2,5,8-Trimethylquinoline

Base Information

• Chemical Name: 2,5,8-Trimethylquinoline
• CAS No.: 102871-69-2
• Molecular Formula: C₁₂H₁₃N
• Molecular Weight: 171.242
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID60588930
• Wikidata: Q82481951
• Mol file: 102871-69-2.mol

Synonyms:2,5,8-Trimethylquinoline;102871-69-2;SCHEMBL6177657;DTXSID60588930;BAPDDVZQIJZBPQ-UHFFFAOYSA-N;MFCD09787532;AKOS006280556;AB51613;s10119;DB-058875;CS-0439974;A896688

Chemical Property of 2,5,8-Trimethylquinoline

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Boiling Point: 278.527°C at 760 mmHg
• PKA: 6.08±0.50(Predicted)
• Flash Point: 114.014°C
• PSA: 12.89000
• Density: 1.034g/cm³
• LogP: 3.16000
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 171.104799419
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

2,5,8-Trimethylquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC(=NC2=C(C=C1)C)C

Technology Process of 2,5,8-Trimethylquinoline

There total 4 articles about 2,5,8-Trimethylquinoline 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: 51.0%

2,5-Dimethylaniline (95-78-3) + ethyl vinyl ether (109-92-2,25104-37-4) → 2,5,8-trimethylquinoline (102871-69-2)

Guidance literature:

With 2,4,6-triphenylpyrylium tetrafluoroborate; In acetonitrile; at 20 ℃; for 16h; Irradiation;

DOI:10.1039/c9ob02259g

Reference yield:

trans-Crotonaldehyde (123-73-9,4170-30-3) + 2,5-Dimethylaniline (95-78-3) → 2,5,8-trimethylquinoline (102871-69-2)

Guidance literature:

With sulfuric acid; 3-Nitrobenzenesulfonic acid; at 130 ℃;

DOI:10.1021/ja01113a049

Reference yield:

mononitro-p-xylene (89-58-7) → 2,5,8-trimethylquinoline (102871-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; acetic acid

2: 3-nitro-benzenesulfonic acid; aqueous sulfuric acid / 130 °C

With sulfuric acid; iron; acetic acid; 3-Nitrobenzenesulfonic acid;

DOI:10.1021/ja01113a049

upstream raw materials:

trans-Crotonaldehyde

2,5-Dimethylaniline

mononitro-p-xylene

ethanol