2,6,7-Trimethylquinoline

Base Information

• Chemical Name: 2,6,7-Trimethylquinoline
• CAS No.: 72681-37-9
• Molecular Formula: C12H13N
• Molecular Weight: 171.242
• Hs Code.: 2933499090
• European Community (EC) Number: 804-012-4
• DSSTox Substance ID: DTXSID00522111
• Nikkaji Number: J1.446.543J
• Wikidata: Q82387099
• Mol file: 72681-37-9.mol

Synonyms:2,6,7-Trimethylquinoline;72681-37-9;SCHEMBL862233;DTXSID00522111;XCA68137;MFCD08437588;AKOS006282338;2,6,7-Trimethylquinoline, AldrichCPR;AB45155;CS-0326531

Chemical Property of 2,6,7-Trimethylquinoline

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Boiling Point: 286.712oC at 760 mmHg
• Flash Point: 118.809oC
• 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:

99% ^*data from raw suppliers

2,6,7-Trimethylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C=C1)C=C(C(=C2)C)C

Technology Process of 2,6,7-Trimethylquinoline

There total 2 articles about 2,6,7-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: 84.0%

ethanol (64-17-5) + 4-amino-o-xylene (95-64-7) → 2,6,7-trimethylquinoline (72681-37-9)

Guidance literature:

With 2,4,6-trimethyl-pyridine; oxygen; palladium diacetate; trifluoroacetic acid; at 150 ℃; for 16h; Schlenk technique;

DOI:10.1021/acs.joc.6b03064

Reference yield:

4-amino-o-xylene (95-64-7) + ethyl vinyl ether (109-92-2,25104-37-4) → 2,6,7-trimethylquinoline (72681-37-9)

Guidance literature:

4-amino-o-xylene; ethyl vinyl ether; With acetic acid; at 25 ℃; for 6h; Inert atmosphere;

for 5h; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.1c03387

Reference yield: 89.0%

2,6,7-trimethylquinoline (72681-37-9) + 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate (126812-30-4) → 4-cyclohexyl-2,6,7-trimethylquinoline

Guidance literature:

With tetrabutylammonium tetrafluoroborate; toluene-4-sulfonic acid; In N,N-dimethyl acetamide; at 20 ℃; for 2.5h; Inert atmosphere; Electrochemical reaction;

DOI:10.1039/c9cc08528a

upstream raw materials:

ethanol

4-amino-o-xylene

ethyl vinyl ether

Downstream raw materials:

3-(6,7-dimethyl-2-quinolinylmethoxy)aniline

Refernces

• 1、 Li, Jixing,Zhang, Jinlong,Yang, Huameng,Jiang, Gaoxi. "Assembly of Diversely Substituted Quinolines via Aerobic Oxidative Aromatization from Simple Alcohols and Anilines". supporting information. p. 3284 - 3290. Retrieved 2017/03/23.