8-(Isopropyl)quinoline

Base Information

• Chemical Name: 8-(Isopropyl)quinoline
• CAS No.: 6457-30-3
• Molecular Formula: C12H13 N
• Molecular Weight: 171.242
• Hs Code.: 2933499090
• European Community (EC) Number: 229-264-7
• UNII: 1Z67T58XO4
• DSSTox Substance ID: DTXSID30983190
• Nikkaji Number: J225.129I
• Wikidata: Q82970092
• Mol file: 6457-30-3.mol

Synonyms:8-(Isopropyl)quinoline;6457-30-3;8-(propan-2-yl)quinoline;8-isopropylquinoline;8-propan-2-ylquinoline;EINECS 229-264-7;Quinoline, 8-(1-methylethyl)-;8-(1-Methylethyl)quinoline;1Z67T58XO4;8-Isopropyl-quinoline;SCHEMBL84502;UNII-1Z67T58XO4;DTXSID30983190;AKOS006314288;EN300-249239;Z1198238055

Chemical Property of 8-(Isopropyl)quinoline

Chemical Property:

• Vapor Pressure: 0.0107mmHg at 25°C
• Boiling Point: 271.5°C at 760 mmHg
• Flash Point: 109.9°C
• PSA: 12.89000
• Density: 1.026g/cm³
• LogP: 3.35820
• 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:

99% ^*data from raw suppliers

8-(propan-2-yl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC2=C1N=CC=C2

Technology Process of 8-(Isopropyl)quinoline

There total 13 articles about 8-(Isopropyl)quinoline 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: 89.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + 2-isopropylaniline (643-28-7) → 8-iso-propylquinoline (6457-30-3)

Guidance literature:

With sulfuric acid; potassium iodide; In water; at 145 ℃; for 15h;

DOI:10.1246/bcsj.20190263

Reference yield: 88.0%

1-(1-methyl-1H-indol-2-yl)-3-phenylprop-2-yn-1-ol + benzylidene phenylamine (538-51-2) → 8-iso-propylquinoline (6457-30-3) + (5-methyl-1,2-diphenyl-2,5-dihydro-1H-pyrido[4,3-b]indol-4-yl)(phenyl)methanone + C18H15NO2

Guidance literature:

With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold (I); 8-isopropyl-quinoline-N-oxide; In toluene; at 20 - 50 ℃; for 2h; Reagent/catalyst; Time; Temperature; Concentration; Solvent; regioselective reaction; Inert atmosphere; Schlenk technique; Molecular sieve;

DOI:10.1002/anie.201304700

Reference yield: 86.0%

8-isopropyl-quinoline-N-oxide (1246242-17-0) → 8-iso-propylquinoline (6457-30-3)

Guidance literature:

With 2,3-dimethyl-2,3-butane diol; bis(N,N-dimethylformamide)dichloridodioxidomolybdenum(VI); In N,N-dimethyl acetamide; at 130 ℃; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1002/adsc.201700071

upstream raw materials:

8-isopropyl-2,3,4,4a,5,6,7,8-octahydroquinoline

glycerol

2-isopropylaniline

2-isopropylcyclohexanone

Downstream raw materials:

8-isopropyl-quinoline-N-oxide

8-Isopropyl-1,2,3,4-tetrahydroquinoline

8-isopropyl-5,6,7,8-tetrahydroquinoline

Refernces

• 1、 Rubio-Presa, Rubén,Fernández-Rodríguez, Manuel A.,Pedrosa, María R.,Arnáiz, Francisco J.,Sanz, Roberto. "Molybdenum-Catalyzed Deoxygenation of Heteroaromatic N-Oxides and Hydroxides using Pinacol as Reducing Agent". supporting information. p. 1752 - 1757. Retrieved 2017/05/22.
• 2、 Ma, Wenpeng,Zhang, Jianwei,Xu, Cong,Chen, Fei,He, Yan-Mei,Fan, Qing-Hua. "Highly Enantioselective Direct Synthesis of Endocyclic Vicinal Diamines through Chiral Ru(diamine)-Catalyzed Hydrogenation of 2,2′-Bisquinoline Derivatives". supporting information. p. 12891 - 12894. Retrieved 2016/10/04.