Quinoline, (1-methylethyl)-

Base Information

• Chemical Name: Quinoline, (1-methylethyl)-
• CAS No.: 17507-25-4
• Molecular Formula: C₁₂H₁₃N
• Molecular Weight: 171.242
• European Community (EC) Number: 215-595-4
• UNII: 21LQY06C93
• DSSTox Substance ID: DTXSID20862642
• Nikkaji Number: J561.518F
• Wikidata: Q81986277
• Mol file: 17507-25-4.mol

Synonyms:Quinoline, (1-methylethyl)-;4-propan-2-ylquinoline;4-Isopropylquinoline;1333-53-5;Isopropylquinoline;6-Isopropyl quinoline;Lichenol;Quinoline, 4-(1-methylethyl)-;p-Isopropyl quinoline;Quinoline, isopropyl-;4-(1-Methylethyl)quinoline;17507-25-4;21LQY06C93;EINECS 215-595-4;4-(propan-2-yl)quinoline;SCHEMBL826018;UNII-21LQY06C93;UNII-23B37EI60S;DTXSID20862642;23B37EI60S;AKOS006374095;LS-141995

Chemical Property of Quinoline, (1-methylethyl)-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 171.104799419
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=NC2=CC=CC=C12

Technology Process of Quinoline, (1-methylethyl)-

There total 1 articles about Quinoline, (1-methylethyl)- 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:

quinoline (91-22-5) + Cyclohexyl iodide (626-62-0) → 4-(1-methylethyl)quinoline (17507-25-4) + 2-cyclohexylquinoline (1613-43-0)

Guidance literature:

With p-chlorobenzenediazonium tetrafluoroborate; iron(II) sulfate; trifluoroacetic acid; In dimethyl sulfoxide; at 40 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/jo00373a013

Reference yield: 79.0%

4-(1-methylethyl)quinoline (17507-25-4) + thiophosgene (463-71-8) → (Z)-3-(2-isothiocyanatophenyl)-4-methylpent-2-enal

Guidance literature:

With water; barium carbonate; In dichloromethane; at 0 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1039/c4cc04047c

Reference yield: 64.0%

4-(1-methylethyl)quinoline (17507-25-4) + Cyclohexanecarboxylic acid (98-89-5) → 2-cyclohexyl-4-isopropylquinoline

Guidance literature:

With trifluorormethanesulfonic acid; 1 wt% Pt on TiO2; In acetonitrile; at 25 ℃; for 6h; Inert atmosphere; Sealed tube; Irradiation;

upstream raw materials:

quinoline

Cyclohexyl iodide