2,5,7-Trimethylquinoline

Base Information

• Chemical Name: 2,5,7-Trimethylquinoline
• CAS No.: 102871-67-0
• Molecular Formula: C12H13N
• Molecular Weight: 171.242
• Hs Code.: 2933499090
• European Community (EC) Number: 802-661-8
• DSSTox Substance ID: DTXSID30588927
• Nikkaji Number: J2.870.747I
• Wikidata: Q82481947
• Mol file: 102871-67-0.mol

Synonyms:2,5,7-Trimethylquinoline;102871-67-0;2,5,7-trimethyl-quinoline;SCHEMBL1562526;DTXSID30588927;KUDYKIJCJSRIBX-UHFFFAOYSA-N;CEA87167;MFCD09787528;AKOS006280555;2,5,7-Trimethylquinoline, AldrichCPR;AB51599;DB-058874;CS-0339760

Chemical Property of 2,5,7-Trimethylquinoline

Chemical Property:

• Vapor Pressure: 0.00599mmHg at 25°C
• Melting Point: 68.75°C (estimate)
• Refractive Index: 1.5980
• Boiling Point: 281.7oC at 760 mmHg
• PKA: 6.55±0.50(Predicted)
• Flash Point: 115.9oC
• 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:

98%Min ^*data from raw suppliers

2,5,7-Trimethylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5,7-Trimethylquinoline

There total 7 articles about 2,5,7-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: 96.0%

acetaldehyde (75-07-0,9002-91-9) + 3,5-dimethylaminoaniline (108-69-0) → 2,5,7-trimethylquinoline (102871-67-0)

Guidance literature:

With tris(1,10-phenathrolinyl)ruthenium(II) hexafluorophosphate; chloropyridinecobaloxime(III); In methanol; at 20 ℃; for 12h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.1c04287

Reference yield: 84.0%

ethanol (64-17-5) + 3,5-dimethylaminoaniline (108-69-0) → 2,5,7-trimethylquinoline (102871-67-0)

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: 70.0%

ethanol (64-17-5) + 5-nitro-m-xylene (99-12-7) → 2,5,7-trimethylquinoline (102871-67-0)

Guidance literature:

With gold on titanium oxide; for 5h; Irradiation;

DOI:10.1016/j.catcom.2010.11.004

upstream raw materials:

trans-Crotonaldehyde

3,5-dimethylaminoaniline

acetaldehyde

ethanol

Downstream raw materials:

C₁₉H₁₇N

Refernces

• 1、 Selvam,Swaminathan. "One-pot photocatalytic synthesis of quinaldines from nitroarenes with Au loaded TiO2 nanoparticles". . p. 389 - 393. Retrieved 2011.
• 2、 Zhou, Weiyou,Taboonpong, Piyada,Aboo, Ahmed Hamdoon,Zhang, Lingjuan,Jiang, Jun,Xiao, Jianliang. "A Convenient Procedure for the Oxidative Dehydrogenation of N-Heterocycles Catalyzed by FeCl2/DMSO". . p. 1806 - 1809. Retrieved 2016.
• 3、 Selvam,Swaminathan. "Au-doped TiO2 nanoparticles for selective photocatalytic synthesis of quinaldines from anilines in ethanol". . p. 4911 - 4914. Retrieved 2010.
• 4、 Su, Long-Long,Zheng, Yi-Wen,Wang, Wen-Guang,Chen, Bin,Wei, Xiang-Zhu,Wu, Li-Zhu,Tung, Chen-Ho. "Photocatalytic Synthesis of Quinolines via Povarov Reaction under Oxidant-Free Conditions". supporting information. p. 1180 - 1185. Retrieved 2022/02/14.
• 5、 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.