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1H-Isoindole-1,3(2H)-dione, 2-[3-(trifluoromethyl)phenyl]-, also known as 2-(3-trifluoromethylphenyl)phthalimide, is an organic compound with the molecular formula C15H8F3NO2. It is a derivative of phthalimide, featuring a trifluoromethylphenyl group attached to the 2-position of the phthalimide core. 1H-Isoindole-1,3(2H)-dione, 2-[3-(trifluoromethyl)phenyl]- is characterized by its white crystalline appearance and is soluble in organic solvents. It is synthesized through a condensation reaction between phthalic anhydride and 3-trifluoromethylaniline. 2-(3-trifluoromethylphenyl)phthalimide is utilized in various applications, including the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals, due to its unique structural properties and reactivity.

314-81-8

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314-81-8 Usage

Molecular weight

291.22 g/mol The mass of one mole of the compound, measured in grams per mole (g/mol).

Physical state

White solid The appearance and state of the compound at room temperature, in this case, a white solid.

Isoindole-1,3(2H)-dione core structure

The central structure of the compound, consisting of a fused benzene ring and a lactam ring (a nitrogen atom connected to a carbonyl group through a carbon atom).

Trifluoromethylphenyl group

A phenyl ring (a benzene ring with a hydrogen atom replaced by a trifluoromethyl group) attached to the 2-position of the isoindole core structure.

Electron-withdrawing effects

The ability of the trifluoromethylphenyl group to attract electrons, which can influence the reactivity and properties of the compound.

Pharmaceutical and research applications

The potential use of the compound in the development of pharmaceuticals and as a research tool due to its unique structure and properties.

Biological activity

The possibility that the compound may interact with biological systems, making it a potential candidate for further investigation in drug discovery and development.

Check Digit Verification of cas no

The CAS Registry Mumber 314-81-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,1 and 4 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 314-81:
(5*3)+(4*1)+(3*4)+(2*8)+(1*1)=48
48 % 10 = 8
So 314-81-8 is a valid CAS Registry Number.

314-81-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-(trifluoromethyl)phenyl)isoindoline-1,3-dione

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:314-81-8 SDS

314-81-8Downstream Products

314-81-8Relevant academic research and scientific papers

Visible-Light-Induced Metal-/Photocatalyst-Free C-H Bond Imidation of Arenes

Kuribara, Takahito,Nakajima, Masaya,Nemoto, Tetsuhiro

supporting information, p. 2235 - 2239 (2020/03/13)

In this study, a visible-light-induced intermolecular C-H bond imidation of arenes was achieved at ambient condition. By using simple phthalimide with (diacetoxyiodo)benzene and molecular iodine, direct metal-/photocatalyst-free C-N bond formation was achieved. The imidation protocol was designed by using time-dependent density functional theory calculations and experimentally demonstrated for 28 substrates with as high as 96% yield. Mechanistic studies indicated that radical-mediated aromatic substitution occurred via photolysis of N-iodophthalimide under visible-light irradiation.

N-acyloxyphthalimides as nitrogen radical precursors in the visible light photocatalyzed room temperature C-H amination of arenes and heteroarenes

Allen, Laura J.,Cabrera, Pablo J.,Lee, Melissa,Sanford, Melanie S.

supporting information, p. 5607 - 5610 (2014/05/06)

This paper reports a room temperature visible light photocatalyzed method for the C-H amination of arenes and heteroarenes. A key enabling advance in this work is the design of N-acyloxyphthalimides as precursors to nitrogen-based radical intermediates for these transformations. A broad substrate scope is presented, including the selective meta-amination of pyridine derivatives. A radical aromatic substitution mechanism is proposed.

Sterically controlled, palladium-catalyzed intermolecular amination of arenes

Shrestha, Ruja,Mukherjee, Paramita,Tan, Yichen,Litman, Zachary C.,Hartwig, John F.

supporting information, p. 8480 - 8483 (2013/07/19)

We report the Pd-catalyzed amination of arenes to form N-aryl phthalimides with regioselectivity controlled predominantly by steric effects. Mono-, di-, and trisubstituted arenes lacking a directing group undergo amination reactions with moderate to high yields and high regioselectivities from sequential addition of PhI(OAc)2 as an oxidant in the presence of Pd(OAc) 2 as catalyst. This sterically derived selectivity contrasts that for analogous arene acetoxylation.

Carbonylative cyclization of o-halobenzoic acids for synthesis of N-substituted phthalimides using polymer-supported palladium-N-heterocyclic carbene as an efficient, heterogeneous, and reusable catalyst

Khedkar, Mayur V.,Khan, Shoeb R.,Dhake, Kishor P.,Bhanage, Bhalchandra M.

supporting information; experimental part, p. 2623 - 2629 (2012/09/05)

The carbonylative cyclization of o-iodobenzoic acid with a variety of primary amines and carbon monoxide (1 bar) using a polymer-supported palladium-N-heterocyclic carbene complex (PS-Pd-NHC) as the catalyst gives N-substituted 1H-isoindole-1,3(2H)-diones (phthalimides) in good to excellent yields with a short reaction time. The catalyst is efficient, heterogeneous, and phosphine-free, it exhibited remarkable activity and it is also recyclable (4 consecutive cycles). The use of methyl o-iodobenzoate as the substrate under these conditions also gave N-substituted 1H-isoindole-1,3(2H)-diones, but with lower yields. Cyclization of o-iodobenzyl alcohol with carbon monoxide under these conditions gave isobenzofuran-1(3H)-one (phthalide). Georg Thieme Verlag Stuttgart · New York.

Microwave-assisted parallel synthesis of a 2-aryl-1H-isoindole-1,3-dione library

Barchín, Bernardo M.,Cuadro, Ana M.,Alvarez-Builla, Julio

, p. 343 - 345 (2007/10/03)

An efficient parallel synthesis of a representative 28-member library of phthalimides is described. Parallel chromatography afforded the library members in suitable purity and with high yields.

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