7-Fluoroquinoline

Base Information

• Chemical Name: 7-Fluoroquinoline
• CAS No.: 396-32-7
• Molecular Formula: C9H6FN
• Molecular Weight: 147.16
• Hs Code.: 2933499090
• European Community (EC) Number: 829-771-9
• UNII: 5TFU7P9W6E
• DSSTox Substance ID: DTXSID00192712
• Nikkaji Number: J371.938C
• Wikidata: Q72476994
• ChEMBL ID: CHEMBL1162365
• Mol file: 396-32-7.mol

Synonyms:7-Fluoroquinoline;396-32-7;Quinoline, 7-fluoro-;CCRIS 3737;BRN 0112903;5TFU7P9W6E;7-Fluoro-quinolinium;UNII-5TFU7P9W6E;FLUOROQUINOLINE, 7-;SCHEMBL3677458;CHEMBL1162365;DTXSID00192712;AKOS006279003;SB68476;LS-141959;CS-0308567;FT-0761555;EN300-124531;AF-753/00317059

Chemical Property of 7-Fluoroquinoline

Chemical Property:

• Vapor Pressure: 0.0654mmHg at 25°C
• Boiling Point: 238.4°Cat760mmHg
• Flash Point: 98°C
• PSA: 12.89000
• Density: 1.216g/cm³
• LogP: 2.37390
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.048427358
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

7-Fluoroquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2)F)N=C1

Technology Process of 7-Fluoroquinoline

There total 6 articles about 7-Fluoroquinoline 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: 89.1%

4-bromo-7-fluoroquinoline → 7-Fluoroquinoline (396-32-7)

Guidance literature:

With palladium on activated charcoal; triethylamine; In methanol; at 20 ℃; for 2h;

Reference yield: 36.0%

C9H8FN → 7-Fluoroquinoline (396-32-7)

Guidance literature:

With trifluorormethanesulfonic acid; In toluene; at 50 ℃; for 4h;

DOI:10.1039/c5ra05209b

Reference yield:

meta-fluoroaniline (372-19-0) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 7-Fluoroquinoline (396-32-7) + 5-fluoroquinoline (394-69-4)

Guidance literature:

With sulfuric acid; 3-Nitrobenzenesulfonic acid; at 140 ℃; Title compound not separated from byproducts;

DOI:10.1021/jo052441c

upstream raw materials:

meta-fluoroaniline

glycerol

acrylaldehyde diethyl acetal

Downstream raw materials:

3-bromo-7-fluoro-quinoline

3-amino-7-fluoroquinoline

7-fluoro-1,2,3,4-tetrahydroquinoline

Refernces

• 1、 Li, An,Yang, Zan,Yang, Tao,Luo, Cai-Wu,Chao, Zi-Sheng,Zhou, Cong-Shan. "High efficiency microwave-assisted synthesis of quinoline from acrolein diethyl acetal and aniline utilizing Ni/Beta catalyst". . p. 21 - 25. Retrieved 2018/07/06.
• 2、 Van Den Berg, Otto,Jager, Wolter F.,Picken, Stephen J.. "7-Dialkylamino-1-alkylquinolinium salts: Highly versatile and stable fluorescent probes". . p. 2666 - 2676. Retrieved 2007/10/03.