6-Trifluoromethylisatin

Base Information

• Chemical Name: 6-Trifluoromethylisatin
• CAS No.: 343-69-1
• Molecular Formula: C9H4F3NO2
• Molecular Weight: 215.131
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50450915
• Nikkaji Number: J971.610F
• Wikidata: Q72512073
• Mol file: 343-69-1.mol

Synonyms:6-Trifluoromethylisatin;343-69-1;6-(trifluoromethyl)indoline-2,3-dione;6-(trifluoromethyl)-1H-indole-2,3-dione;6-TRIFLUOROMETHYL ISATIN;6-(trifluoromethyl)isatin;6-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione;MFCD08457887;AMY800;SCHEMBL4679100;DTXSID50450915;6-trifluoromethylindoline-2,3-dione;AKOS015852927;6-(Trifluoromethyl)-2,3-indolinedione;CS-W019432;FS-3374;SB66143;SY034311;FT-0653040;EN300-201212;A822197;J-518129

Chemical Property of 6-Trifluoromethylisatin

Chemical Property:

• PKA: 8.76±0.20(Predicted)
• PSA: 46.17000
• Density: 1.525 g/cm³
• LogP: 1.97820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 215.01941286
• Heavy Atom Count: 15
• Complexity: 313

Purity/Quality:

99%, ^*data from raw suppliers

6-Trifluoromethylisatin 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=O)C2=O
• Uses: 6-(Trifluoromethyl)-1h-indole-2,3-dione is used in preparation of substituted 3,4-dihydroquinazoline for treatment and prophylaxis of hepatitis b virus infection.

Technology Process of 6-Trifluoromethylisatin

There total 11 articles about 6-Trifluoromethylisatin 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: 96.0%

(2-tert-Butoxycarbonylamino-4-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester (159684-36-3) → 6-(Trifluoromethyl)-1H-indol-2,3-dione (343-69-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 6h; Heating;

DOI:10.1021/ja0513077

Reference yield: 87.0%

→ 6-(Trifluoromethyl)-1H-indol-2,3-dione (343-69-1)

Guidance literature:

Reference yield: 29.0%

N-(3-trifluoromethylphenyl)-2-(hydroxyimino)acetamide → 6-(Trifluoromethyl)-1H-indol-2,3-dione (343-69-1) + 4-trifluoromethyl-1H-indole-2,3-dione (386-73-2)

Guidance literature:

upstream raw materials:

(2-tert-Butoxycarbonylamino-4-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester

t-butyl<3-(trifluoromethyl)phenyl>-carbamate

oxalic acid diethyl ester

3-trifluoromethylaniline

Downstream raw materials:

3-(5-Chloro-2-methoxyphenyl)-1,3-dihydro-3-hydroxy-6-(trifluoromethyl)-2H-indol-2-one

Refernces

• 1、 Zhang, Aiying,Yu, Mingfeng,Lan, Tian,Liu, Zenglu,Mao, Zhenmin. "Novel synthesis of 4-or 6-substituted indirubin derivatives". experimental part. p. 3125 - 3134. Retrieved 2010/12/24.
• 2、 Hamashima, Yoshitaka,Suzuki, Toshiaki,Takano, Hisashi,Shimura, Yuta,Sodeoka, Mikiko. "Catalytic enantioselective fluorination of oxindoles". . p. 10164 - 10165. Retrieved 2007/10/03.