7-Trifluoromethyloxindole

Base Information

• Chemical Name: 7-Trifluoromethyloxindole
• CAS No.: 56341-40-3
• Molecular Formula: C₉H₆F₃NO
• Molecular Weight: 201.148
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID50428452
• Nikkaji Number: J3.324.158E
• Wikidata: Q72512164
• Mol file: 56341-40-3.mol

Synonyms:7-Trifluoromethyloxindole;56341-40-3;7-(trifluoromethyl)indolin-2-one;7-(trifluoromethyl)-1,3-dihydroindol-2-one;7-Trifluoromethyl-2-oxindole;MFCD07783895;7-(TRIFLUOROMETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE;7-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-INDOL-2-ONE;7-(Trifluoromethyl)oxindole;SCHEMBL3660583;DTXSID50428452;ODADMQRQVQRBAC-UHFFFAOYSA-N;7-(Trifluoromethyl)indoline-2-one;AC6362;7-trifluoromethyloxindole, AldrichCPR;AKOS005174780;MB05039;AC-22695;LS-04670;SY031235;CS-0147659;FT-0652513;A831006

Chemical Property of 7-Trifluoromethyloxindole

Chemical Property:

• Vapor Pressure: 0.00306mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 284 °C at 760 mmHg
• PKA: 13.30±0.20(Predicted)
• Flash Point: 125.5 °C
• PSA: 29.10000
• Density: 1.391g/cm³
• LogP: 2.33800
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 201.04014830
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

7-(Trifluoromethyl)indolin-2-one ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC=C2)C(F)(F)F)NC1=O

Technology Process of 7-Trifluoromethyloxindole

There total 4 articles about 7-Trifluoromethyloxindole 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: 90.0%

7-trifluoromethylisatin (391-12-8) → 7-(trifluoromethyl)indolin-2-one (56341-40-3)

Guidance literature:

With titanium tetrachloride; zinc; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.02.072

Reference yield: 40.0%

2-oxoindole (59-48-3) + Langlois reagent (2926-29-6) → 7-(trifluoromethyl)indolin-2-one (56341-40-3)

Guidance literature:

With ammonium peroxydisulfate; eosin y; copper dichloride; In acetonitrile; for 20h; Sealed tube; Irradiation;

DOI:10.1021/acs.joc.9b01987

Reference yield:

C13H15F3NO5P → 7-(trifluoromethyl)indolin-2-one (56341-40-3)

Guidance literature:

With hydrogen iodide; In water; acetonitrile; at 50 ℃; for 6h;

DOI:10.3762/bjoc.17.150

upstream raw materials:

7-trifluoromethylisatin

2-oxoindole

Langlois reagent

Downstream raw materials:

2,6-diphenyl-7'-trifluoromethylspiro[cyclohexane-1,3'-indoline]-2',4-dione

Refernces

• 1、 Tian, Chao,Wang, Qiyue,Wang, Xueqi,An, Guanghui,Li, Guangming. "Visible-Light Mediated ortho-Trifluoromethylation of Aniline Derivatives". . p. 14241 - 14247. Retrieved 2019/10/16.
• 2、 -. "Oxindoles as sleep-inducers". . . Retrieved 2008/06/13.