7-Fluorooxindole

Base Information

• Chemical Name: 7-Fluorooxindole
• CAS No.: 71294-03-6
• Molecular Formula: C₈H₆FNO
• Molecular Weight: 151.14
• Hs Code.: 2933790090
• European Community (EC) Number: 676-237-4
• DSSTox Substance ID: DTXSID90395694
• Nikkaji Number: J416.477F
• Wikidata: Q72475506
• Mol file: 71294-03-6.mol

Synonyms:7-Fluorooxindole;7-fluoroindolin-2-one;71294-03-6;7-fluoro-1,3-dihydroindol-2-one;7-fluoro-2-oxindole;7-fluoroindolinone;7-fluoro-1,3-dihydro-2h-indol-2-one;2H-Indol-2-one, 7-fluoro-1,3-dihydro-;MFCD02179608;7-fluoro-1,3-dihydro-indol-2-one;7-FLUORO-2,3-DIHYDRO-1H-INDOL-2-ONE;EC 676-237-4;7-fluoro-oxindole;7-fluorooxindole, AldrichCPR;7-FLUOROINDOLE-2-ONE;SCHEMBL261018;DTXSID90395694;7-Fluoro-1H-indol-2(3H)-one;VMUIOEOYZHJLEZ-UHFFFAOYSA-N;BCP05932;AM1159;AKOS005063824;AC-6618;CS-W002915;FS-2240;SY029301;A9347;FT-0656002;F-6330

Chemical Property of 7-Fluorooxindole

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 188-190 °C
• Refractive Index: 1.536
• Boiling Point: 297.9 °C at 760 mmHg
• PKA: 12.93±0.20(Predicted)
• Flash Point: 133.9 °C
• PSA: 29.10000
• Density: 1.311 g/cm³
• LogP: 1.45830
• Storage Temp.: Keep Cold
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.043341977
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

99.9% ^*data from raw suppliers

7-Fluorooxindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C,Xn
• Statements: 36/37/38-34-22
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 7-Fluorooxindole

There total 13 articles about 7-Fluorooxindole 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: 95.0%

7-Fluoro-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one (71294-06-9) → 7-fluoro-1,3-dihydro-indol-2-one (71294-03-6)

Guidance literature:

With sodium hydrogensulfite; In water; for 2.25h; Reflux;

Reference yield: 83.0%

7-fluoro-1H-indole-2,3-dione (317-20-4) → 7-fluoro-1,3-dihydro-indol-2-one (71294-03-6)

Guidance literature:

7-fluoro-1H-indole-2,3-dione; With hydrazine; In water; ethylene glycol; at 120 ℃; for 6.5h;

With hydrogenchloride; water; In ethylene glycol; at 35 - 40 ℃; for 1h;

Reference yield: 83.0%

2-(3-fluoro-2-nitrophenyl)acetic acid (872141-25-8) → 7-fluoro-1,3-dihydro-indol-2-one (71294-03-6)

Guidance literature:

2-(3-fluoro-2-nitrophenyl)acetic acid; With hydrogen; acetic acid; palladium on activated charcoal; for 24h; under 2585.81 Torr;

With toluene-4-sulfonic acid; In ethanol; for 1h; Further stages.; Heating;

DOI:10.1021/jm701080t

upstream raw materials:

(2-tert-Butoxycarbonylamino-3-fluoro-phenyl)-acetic acid

2-(3-fluoro-2-nitrophenyl)acetic acid

tert-butyl 2-fluorophenylcarbamate

N-(tert-butoxycarbonyl)-2-fluoro-6-methylaniline

Refernces

• 1、 Zhang, Chao,Xu, Juan,Zhao, Xinyu,Kang, Congmin. "Synthesis of novel 3-(benzothiazol-2-ylmethylene)indolin-2-ones". . p. 537 - 540. Retrieved 2017/10/03.
• 2、 Gui, Yong-Yuan,Yang, Jian,Qi, Liang-Wen,Wang, Xiao,Tian, Fang,Li, Xiao-Nian,Peng, Lin,Wang, Li-Xin. "A cinchona alkaloid catalyzed enantioselective sulfa-Michael/aldol cascade reaction of isoindigos: Construction of chiral bispirooxindole tetrahydrothiophenes with vicinal quaternary spirocenters". . p. 6371 - 6379. Retrieved 2015/06/08.