6-tert-Butylquinoline

Base Information

• Chemical Name: 6-tert-Butylquinoline
• CAS No.: 68141-13-9
• Molecular Formula: C13H15N
• Molecular Weight: 185.269
• Hs Code.: 2933499090
• European Community (EC) Number: 268-835-5
• DSSTox Substance ID: DTXSID9071187
• Nikkaji Number: J334.100C
• Wikidata: Q81998742
• Mol file: 68141-13-9.mol

Synonyms:6-tert-Butylquinoline;68141-13-9;6-(tert-butyl)quinoline;Quinoline, 6-(1,1-dimethylethyl)-;6-(1,1-Dimethylethyl)quinoline;EINECS 268-835-5;benzaldehydehydrazone;Quinoline,6-(1,1-dimethylethyl)-;SCHEMBL264293;DTXSID9071187;JHAWWJQGHKGXHA-UHFFFAOYSA-;MFCD02683023;AKOS006343004;B2985;FT-0692929;EN300-121062;T71218;6-TERT-BUTYLQUINOLINE,98.0+%(GC)(T);Z1201621846

Chemical Property of 6-tert-Butylquinoline

Chemical Property:

• Vapor Pressure: 0.00462mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 286.2 °C at 760 mmHg
• Flash Point: 116.3 °C
• PSA: 12.89000
• Density: 1.009 g/cm³
• LogP: 3.53230
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.120449483
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

6-tert-Butylquinoline >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)N=CC=C2

Technology Process of 6-tert-Butylquinoline

There total 5 articles about 6-tert-Butylquinoline 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: 73.0%

4-tert-Butylaniline (769-92-6) + trimethyleneglycol (504-63-2) → 6-(tert-butyl)quinoline (68141-13-9)

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: 33.0%

N-allyl-4-(tert-butyl)aniline → 6-(tert-butyl)quinoline (68141-13-9)

Guidance literature:

With toluene-4-sulfonic acid; dimethyl sulfoxide; at 125 ℃; for 22h; Green chemistry;

DOI:10.1246/cl.190854

Reference yield: 30.0%

4-tert-Butylaniline (769-92-6) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 6-(tert-butyl)quinoline (68141-13-9)

Guidance literature:

With arsenic(V) oxide; sulfuric acid;

upstream raw materials:

4-tert-Butylaniline

glycerol

4-tert-butylnitrobenzene

sodium 3-nitrobenzenesulfonate

Downstream raw materials:

6-t-butyl-1,2,3,4-tetrahydroquinoline

6-tert-butyl-5,6,7,8-tetrahydroquinoline

6-(tert-butyl)-4-(1-phenylethyl)quinoline

C₂₁H₂₃N

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.
• 2、 Hoenel, Michael,Vierhapper, Friedrich W.. "Selectivity in the Hydrogenation of 6- and 8-Substituted-quinolines". . p. 1933 - 1939. Retrieved 2007/10/02.