8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline

Base Information

• Chemical Name: 8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline
• CAS No.: 75413-99-9
• Molecular Formula: C13H19 N
• Molecular Weight: 189.301
• European Community (EC) Number: 278-203-0
• DSSTox Substance ID: DTXSID50996863
• Nikkaji Number: J307.569I
• Wikidata: Q82988765
• Mol file: 75413-99-9.mol

Synonyms:8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline;75413-99-9;8-tert-butyl-1,2,3,4-tetrahydroquinoline;EINECS 278-203-0;SCHEMBL10912802;DTXSID50996863;Quinoline, 8-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-;AKOS013580102;8-t-butyl-1,2,3,4-tetrahydro-quinoline;8-tert-Butyl-1,2,3,4-tetrahydro-quinoline;Y14336;8-(1,1-Dimethylethyl)-1,2,3,4-tetrahydroquinoline

Chemical Property of 8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline

Chemical Property:

• Vapor Pressure: 0.00274mmHg at 25°C
• Boiling Point: 285.8°C at 760 mmHg
• PKA: 4.40±0.20(Predicted)
• Flash Point: 127.6°C
• PSA: 12.03000
• Density: 0.951g/cm³
• LogP: 3.48020
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=CC2=C1NCCC2

Technology Process of 8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline

There total 4 articles about 8-(tert-Butyl)-1,2,3,4-tetrahydroquinoline 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: 3.0%

1,2,3,4-tetrahydroisoquinoline (635-46-1) + tert-Butyl iodide (558-17-8) → 8-tert-butyl-1,2,3,4-tetrahydroquinoline (75413-99-9)

Guidance literature:

With potassium carbonate; at 60 ℃; for 18h;

DOI:10.1021/ja037544w

Reference yield:

8-t-butyl-2,3,4,4a,5,6,7,8-octahydroquinoline (343773-77-3) → 8-tert-butyl-5,6,7,8-tetrahydroquinoline (75414-05-0) + 8-tert. butylquinoline (75413-96-6) + 8-tert-butyl-1,2,3,4-tetrahydroquinoline (75413-99-9)

Guidance literature:

With nitrobenzene; palladium on activated charcoal; In xylene;

Reference yield:

8-tert. butylquinoline (75413-96-6) → 8-tert-butyl-1,2,3,4-tetrahydroquinoline (75413-99-9)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; under 2250.2 Torr;

upstream raw materials:

8-t-butyl-2,3,4,4a,5,6,7,8-octahydroquinoline

8-tert. butylquinoline

1,2,3,4-tetrahydroisoquinoline

tert-Butyl iodide

Refernces

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