7,8-Difluoroquinoline

Base Information

• Chemical Name: 7,8-Difluoroquinoline
• CAS No.: 145241-76-5
• Molecular Formula: C₉H₅F₂N
• Molecular Weight: 165.142
• DSSTox Substance ID: DTXSID80162953
• Nikkaji Number: J1.068.586I
• Wikidata: Q83031772
• Mol file: 145241-76-5.mol

Synonyms:7,8-Difluoroquinoline;145241-76-5;Quinoline, 7,8-difluoro-;CCRIS 8762;7,8-Difluroquinoline;SCHEMBL3562790;DTXSID80162953;MTJUOHUSWWHAHJ-UHFFFAOYSA-N;MFCD01075229;AKOS006275561;MB01680;AS-43883;LS-141837;CS-0112254;EN300-124429;A928639;Z1198156164

Chemical Property of 7,8-Difluoroquinoline

Chemical Property:

• Vapor Pressure: 0.0466mmHg at 25°C
• Boiling Point: 244.8°Cat760mmHg
• PKA: 0.76±0.31(Predicted)
• Flash Point: 101.8°C
• PSA: 12.89000
• Density: 1.319g/cm³
• LogP: 2.51300
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.03900549
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

7,8-Difluoroquinoline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 7,8-Difluoroquinoline

There total 1 articles about 7,8-Difluoroquinoline 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: 91.0%

2,3-difluoroanilline (4519-40-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 7,8-Difluoroquinoline (145241-76-5)

Guidance literature:

2,3-difluoroanilline; glycerol; With sulfuric acid; sodium iodide; at 150 - 180 ℃; for 4h;

With sodium hydroxide; In water; at 60 - 70 ℃;

Reference yield: 77.0%

7,8-Difluoroquinoline (145241-76-5) → 3-bromo-7,8-difluoroquinoline (1686108-69-9)

Guidance literature:

With N-Bromosuccinimide; acetic acid; at 110 ℃; for 12h;

Reference yield: 70.0%

7,8-Difluoroquinoline (145241-76-5) → 7,8-difluoro-3-iodoquinoline (1314012-54-8)

Guidance literature:

7,8-Difluoroquinoline; With N-iodo-succinimide; In acetic acid; at 90 ℃; for 30h;

With sodium hydrogencarbonate;

upstream raw materials:

2,3-difluoroanilline

glycerol

Downstream raw materials:

7,8-difluoro-3-hydroxyquinoline

7,8-difluoro-3-iodoquinoline

3-amino-7,8-difluoroquinoline

7,8-difluoro-quinoline-3-carboxylic acid

Refernces

• 1、 Childers, Wayne E.,Havran, Lisa M.,Asselin, Magda,Bicksler, James J.,Chong, Dan C.,Grosu, George T.,Shen, Zhongqi,Abou-Gharbia, Magid A.,Bach, Alvin C.,Harrison, Boyd L.,Kagan, Natasha,Kleintop, Teresa,Magolda, Ronald,Marathias, Vasilios,Robichaud, Albert J.,Sabb, Annmarie L.,Zhang, Mei-Yi,Andree, Terrance H.,Aschmies, Susan H.,Beyer, Chad,Comery, Thomas A.,Day, Mark,Grauer, Steven M.,Hughes, Zoe A.,Rosenzweig-Lipson, Sharon,Platt, Brian,Pulicicchio, Claudine,Smith, Deborah E.,Sukoff-Rizzo, Stacy J.,Sullivan, Kelly M.,Adedoyin, Adedayo,Huselton, Christine,Hirst, Warren D.. "The synthesis and biological evaluation of quinolyl-piperazinyl piperidines as potent serotonin 5-HT1A antagonists". . p. 4066 - 4084. Retrieved 2010.
• 2、 -. "NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE". Page/Page column 26. . Retrieved 2012/12/13.