8-Fluoro-2-methylquinoline

Base Information

• Chemical Name: 8-Fluoro-2-methylquinoline
• CAS No.: 46001-36-9
• Molecular Formula: C10H8FN
• Molecular Weight: 161.1756232
• Hs Code.: 2933499090
• European Community (EC) Number: 888-563-6
• DSSTox Substance ID: DTXSID30459729
• Nikkaji Number: J3.160.181I
• Wikidata: Q82283558
• Mol file: 46001-36-9.mol

Synonyms:8-Fluoro-2-methylquinoline;46001-36-9;8-fluoro-2-methyl-quinoline;2-Methyl-8-fluoroquinoline;SCHEMBL378207;DTXSID30459729;HJHYMLQMBHHNRJ-UHFFFAOYSA-N;AB3782;MFCD09744004;AKOS006331879;SB67971;BS-28623;CS-0088257;FT-0692985;EN300-103413

Chemical Property of 8-Fluoro-2-methylquinoline

Chemical Property:

• PSA: 12.89000
• LogP: 2.68230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.064077422
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

8-Fluoro-2-methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C=CC=C2F)C=C1

Technology Process of 8-Fluoro-2-methylquinoline

There total 6 articles about 8-Fluoro-2-methylquinoline 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: 82.0%

trans-Crotonaldehyde (123-73-9,4170-30-3) + 2-Fluoroaniline (348-54-9) → 8-fluoro-2-methylquinoline (46001-36-9)

Guidance literature:

With hydrogenchloride; In toluene; at 100 ℃; for 2h;

DOI:10.1039/b307399h

Reference yield: 80.0%

C12H16FNO → 8-fluoro-2-methylquinoline (46001-36-9)

Guidance literature:

DOI:10.1016/j.tetlet.2012.12.094

Reference yield: 77.0%

2-Fluoroaniline (348-54-9) + crotonaldehyde (123-73-9,4170-30-3) → 8-fluoro-2-methylquinoline (46001-36-9)

Guidance literature:

2-Fluoroaniline; crotonaldehyde; With hydrogenchloride; In water; toluene; at 100 ℃; for 2h; Inert atmosphere;

With sodium hydroxide; In water;

upstream raw materials:

trans-Crotonaldehyde

2-Fluoroaniline

2-methyl-6-(trifluoromethyl)-quinoline

crotonaldehyde

Downstream raw materials:

8-fluoroquinoline-2-carboxylic acid

3-(8-fluoro-2-quinolinylmethoxy)aniline

Refernces

• 1、 Perez, Christian,Li, Jing,Parlati, Francesco,Rouffet, Matthieu,Yuyong,Mackinnon, Andrew L.,Chou, Tsui-Fen,Deshaies, Raymond J.,Cohen, Seth M.. "Discovery of an Inhibitor of the Proteasome Subunit Rpn11". . p. 1343 - 1361. Retrieved 2017/03/08.
• 2、 Dunkel, Petra,Tran, Christine,Gallavardin, Thibault,Dhimane, Hamid,Ogden, David,Dalko, Peter I.. "Quinoline-derived two-photon sensitive quadrupolar probes". . p. 9899 - 9908. Retrieved 2015/01/08.