Flucarbril

Base Information

• Chemical Name: Flucarbril
• CAS No.: 2261-94-1
• Molecular Formula: C₁₁H₈F₃NO
• Molecular Weight: 227.186
• Hs Code.: 2933790090
• UNII: 5XJK6U3H0P
• DSSTox Substance ID: DTXSID10177131
• Nikkaji Number: J9.949J
• Wikidata: Q27263013
• NCI Thesaurus Code: C81382
• ChEMBL ID: CHEMBL2107392
• Mol file: 2261-94-1.mol

Synonyms:FLUCARBRIL;2261-94-1;Flucarbril [INN];1-methyl-6-(trifluoromethyl)quinolin-2-one;UNII-5XJK6U3H0P;5XJK6U3H0P;1-Methyl-2-oxo-6-(trifluoromethyl)quinoline;SCHEMBL2109672;CHEMBL2107392;VARIAMINEBLUEBDIAZONIUMSALT;DTXSID10177131;BSFJLMNFTBGXQE-UHFFFAOYSA-N;Carbostyril, N-methyl-6-(trifluoromethyl)-;Carbostyril, 1-methyl-6-(trifluoromethyl)-;2(1H)-Quinolinone, 1-methyl-6-(trifluoromethyl)-;Q27263013

Chemical Property of Flucarbril

Chemical Property:

• Vapor Pressure: 0.00655mmHg at 25°C
• Boiling Point: 271.2°C at 760 mmHg
• Flash Point: 117.8°C
• PSA: 22.00000
• Density: 1.331g/cm³
• LogP: 2.55730
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 227.05579836
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

1-METHYL-6-(TRIFLUOROMETHYL)-2(1H)-QUINOLINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=CC1=O)C=C(C=C2)C(F)(F)F

Technology Process of Flucarbril

There total 2 articles about Flucarbril 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: 37.0%

PVS (5535-48-8) + 2-(methyl(4-(trifluoromethyl)phenyl)amino)-2-glyoxylic acid → 1-methyl-6-(trifluoromethyl)quinolin-2(1H)-one (2261-94-1)

Guidance literature:

With sodium persulfate; silver nitrate; In water; acetonitrile; at 80 ℃; for 36h; Inert atmosphere;

DOI:10.1055/s-0040-1707891

Reference yield:

→ 1-methyl-6-(trifluoromethyl)quinolin-2(1H)-one (2261-94-1)

Guidance literature:

7-Trifluormethyl-4-methyl-3-oxo-1,2,2acis,3,4,8bcis-hexahydrocyclobutachinolin-2ref-carbonsaeure-ethylester, alkal. Hydrolyse;

DOI:10.1016/S0040-4039(00)89789-0

upstream raw materials:

PVS

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