2-(2,2,2-Trifluoroethyl)isoindole-1,3-dione

Base Information

• Chemical Name: 2-(2,2,2-Trifluoroethyl)isoindole-1,3-dione
• CAS No.: 13909-07-4
• Molecular Formula: C10H6F3NO2
• Molecular Weight: 229.1553
• NSC Number: 92152
• DSSTox Substance ID: DTXSID70930340
• Wikidata: Q82905654
• Mol file: 13909-07-4.mol

Synonyms:13909-07-4;2-(2,2,2-trifluoroethyl)isoindole-1,3-dione;2-(2,2,2-Trifluoroethyl)isoindoline-1,3-dione;NSC92152;TimTec1_005157;SCHEMBL22939448;DTXSID70930340;IMSVLACYLZOPOK-UHFFFAOYSA-N;HMS1548K09;AMY30179;NSC-92152;2-(2,2,2-Trifluoroethyl)-1H-isoindole-1,3(2H)-dionato

Chemical Property of 2-(2,2,2-Trifluoroethyl)isoindole-1,3-dione

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Boiling Point: 262.2°C at 760 mmHg
• Flash Point: 112.4°C
• Density: 1.463g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.03506292
• Heavy Atom Count: 16
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(F)(F)F

Technology Process of 2-(2,2,2-Trifluoroethyl)isoindole-1,3-dione

There total 7 articles about 2-(2,2,2-Trifluoroethyl)isoindole-1,3-dione 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: 88.0%

carbon monoxide (201230-82-2) + 2,2,2-trifluroethylamine hydrochloride (373-88-6) + 2,3-dibromobenzene (583-53-9) → 2-(2,2,2-trifluoroethyl)isoindoline-1,3-dione (13909-07-4)

Guidance literature:

With palladium diacetate; triethylamine; catacxium A; In N,N-dimethyl acetamide; at 100 ℃; for 30h; under 22502.3 Torr; Autoclave; Inert atmosphere;

DOI:10.1039/c4ob00796d

Reference yield: 86.0%

N-phthaloylglycine (4702-13-0) + Grushin’s reagent (1680206-12-5) → 2-(2,2,2-trifluoroethyl)isoindoline-1,3-dione (13909-07-4)

Guidance literature:

Grushin’s reagent; With dimethyl zinc(II); In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

N-phthaloylglycine; With dipotassium peroxodisulfate; silver nitrate; In water; acetonitrile; at 40 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.7b07944

Reference yield: 66.0%

trifluoroethylamine (753-90-2) + trimethylsilyl cyanide (7677-24-9) + 2-Iodobenzoic acid (88-67-5) → 2-(2,2,2-trifluoroethyl)isoindoline-1,3-dione (13909-07-4)

Guidance literature:

With copper(I) oxide; water; at 100 ℃; for 8h; Green chemistry;

DOI:10.1039/d1ob00073j

upstream raw materials:

carbon monoxide

2,2,2-trifluroethylamine hydrochloride

2,3-dibromobenzene

N-phthaloylglycine

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