2-(Benzylthio)quinoline

Base Information

• Chemical Name: 2-(Benzylthio)quinoline
• CAS No.: 116249-87-7
• Molecular Formula: C₁₆H₁₃NS
• Molecular Weight: 251.352
• European Community (EC) Number: 659-867-4
• Nikkaji Number: J1.594.104I
• Mol file: 116249-87-7.mol

Synonyms:2-(Benzylthio)quinoline;116249-87-7;2-benzylsulfanylquinoline;AKOS008347976;SB71516;DS-10959;D84332;A907009

Chemical Property of 2-(Benzylthio)quinoline

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 251.07687059
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

2-(Benzylthio)quinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2

Technology Process of 2-(Benzylthio)quinoline

There total 3 articles about 2-(Benzylthio)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: 62.0%

2-Chloroquinoline (612-62-4) + benzyl alcohol (100-51-6,185532-71-2) → benzyl 2-quinolyl sulfide (116249-87-7)

Guidance literature:

With water; thiourea; In neat (no solvent); at 140 ℃; for 24h; chemoselective reaction; Sealed tube; Green chemistry;

DOI:10.1002/adsc.201700227

Reference yield:

2-Chloroquinoline (612-62-4) + sodium benzylmercaptide (3492-64-6) → benzyl 2-quinolyl sulfide (116249-87-7)

Guidance literature:

With ethanol;

DOI:10.1021/ja01137a506

Reference yield:

2-Chloroquinoline (612-62-4) + phenylmethanethiol (100-53-8) → benzyl 2-quinolyl sulfide (116249-87-7)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

2-Chloroquinoline

sodium benzylmercaptide

phenylmethanethiol

benzyl alcohol

Refernces

• 1、 Ma, Xiantao,Yu, Lei,Su, Chenliang,Yang, Yaqi,Li, Huan,Xu, Qing. "Efficient Generation of C–S Bonds via a By-Product-Promoted Selective Coupling of Alcohols, Organic Halides, and Thiourea". supporting information. p. 1649 - 1655. Retrieved 2017/05/29.