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O-Phthalimide, also known as phthalimide, is an organic compound with the chemical formula C8H5NO2. It is an imide of commercial and industrial importance, forming a number of interesting derivatives. O-Phthalimide is used as a reagent in the synthesis of various compounds and has a wide range of applications in medicinal chemistry.

85-41-6

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85-41-6 Usage

Uses

Used in Pharmaceutical Industry:
O-Phthalimide is used as a reagent for transforming allyland alkyl halides into protected primary amines. It is extensively used in medicinal chemistry due to its wide spectrum of applications as anti-convulsant, anti-inflammatory, analgesic, hypolipidimic, and immunomodulatory activities.
Used in Chemical Synthesis:
O-Phthalimide is used in the formation of various derivatives, such as potassium phthalimide and ethylphthalimide. These derivatives can be further hydrolyzed to yield primary amines and their derivatives, which are useful in the preparation of certain primary amines and their derivatives.
Used in Dyes and Metabolites:
O-Phthalimide and its analogues are used in the synthesis of dyes and metabolites, which have various applications in different industries.
Used in Environmental Testing:
O-Phthalimide and its derivatives are used in environmental testing for the detection and analysis of various pollutants and contaminants.

Synthesis Reference(s)

Journal of the American Chemical Society, 111, p. 3725, 1989 DOI: 10.1021/ja00192a034The Journal of Organic Chemistry, 45, p. 363, 1980 DOI: 10.1021/jo01290a038Tetrahedron Letters, 34, p. 6907, 1993 DOI: 10.1016/S0040-4039(00)91827-6

Air & Water Reactions

Insoluble in water.

Reactivity Profile

O-Phthalimide is an imide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). O-Phthalimide forms salts with bases.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition O-Phthalimide emits toxic fumes of nitrogen oxides.

Fire Hazard

Literature sources indicate that O-Phthalimide is combustible.

Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Purification Methods

Crystallise the imide from EtOH (20mL/g) (charcoal), or sublime it. For potassium phthalimide see entry in “Metal-organic Compounds”, Chapter 5. [Beilstein 21/10 V 270.]

Check Digit Verification of cas no

The CAS Registry Mumber 85-41-6 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 8 and 5 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 85-41:
(4*8)+(3*5)+(2*4)+(1*1)=56
56 % 10 = 6
So 85-41-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)

85-41-6 Well-known Company Product Price

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  • Alfa Aesar

  • (A12584)  Phthalimide, 99%   

  • 85-41-6

  • 500g

  • 297.0CNY

  • Detail
  • Alfa Aesar

  • (A12584)  Phthalimide, 99%   

  • 85-41-6

  • 2500g

  • 821.0CNY

  • Detail
  • Alfa Aesar

  • (A12584)  Phthalimide, 99%   

  • 85-41-6

  • 10000g

  • 2727.0CNY

  • Detail
  • Sigma-Aldrich

  • (36734)  Phthalimide  PESTANAL®, analytical standard

  • 85-41-6

  • 36734-1G

  • 329.94CNY

  • Detail
  • Aldrich

  • (240230)  Phthalimide  ≥99%

  • 85-41-6

  • 240230-50G

  • 142.74CNY

  • Detail
  • Aldrich

  • (240230)  Phthalimide  ≥99%

  • 85-41-6

  • 240230-250G

  • 264.42CNY

  • Detail
  • Aldrich

  • (240230)  Phthalimide  ≥99%

  • 85-41-6

  • 240230-1KG

  • 852.93CNY

  • Detail

85-41-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name phthalimide

1.2 Other means of identification

Product number -
Other names Ftalimmide

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:85-41-6 SDS

85-41-6Relevant academic research and scientific papers

Copper-catalyzed aerobic C-C bond cleavage of lactols with N-hydroxy phthalimide for synthesis of lactones

Tnay, Ya Lin,Chiba, Shunsuke

, p. 873 - 877 (2015)

The transformation of cyclic hemiacetals (lactols) into lactones has been achieved by Cu-catalyzed aerobic C-C bond cleavage in the presence of N-hydroxy phthalimide (NHPI). The present process is composed of a multistep sequence including a) formation of exo-cyclic enol ethers by dehydration; b) addition of phthalimide N-oxyl radical to the enol ethers followed by trapping of the resulting C-radicals with molecular oxygen to form peroxy radicals; c) reductive generation of oxy radicals and subsequent β-radical fragmentation to generate lactones.

Decarboxylative Amination: Diazirines as Single and Double Electrophilic Nitrogen Transfer Reagents

Chandrachud, Preeti P.,Wojtas, Lukasz,Lopchuk, Justin M.

supporting information, p. 21743 - 21750 (2021/01/11)

The ubiquity of nitrogen-containing small molecules in medicine necessitates the continued search for improved methods for C-N bond formation. Electrophilic amination often requires a disparate toolkit of reagents whose selection depends on the specific structure and functionality of the substrate to be aminated. Further, many of these reagents are challenging to handle, engage in undesired side reactions, and function only within a narrow scope. Here we report the use of diazirines as practical reagents for the decarboxylative amination of simple and complex redox-active esters. The diaziridines thus produced are readily diversifiable to amines, hydrazines, and nitrogen-containing heterocycles in one step. The reaction has also been applied in fluorous phase synthesis with a perfluorinated diazirine.

PPh3/I2/HCOOH: An efficient CO source for the synthesis of phthalimides

Wang, Yingying,Zhou, Yang,Lei, Min,Hou, Jinjun,Jin, Qinghao,Guo, Dean,Wu, Wanying

supporting information, p. 1180 - 1185 (2019/01/26)

A straightforward and general method has been developed for the synthesis of phthalimide derivatives from 2-iodobenzamides and PPh3/I2/HCOOH in the presence of a catalytic amount of Pd(OAc)2. The reaction results demonstrate that PPh3/I2/HCOOH is a facile, efficient and safe CO source. The whole process is carried out in toluene at 80 °C and furnishes the desired products in good to excellent yields.

Methyl esters of 2-(N-hydroxycarbamimidoyl)benzoyl-substituted α-amino acids as promising building blocks in peptidomimetic synthesis: a comparative study

Tkachuk, Volodymyr A.,Hordiyenko, Olga V.,Omelchenko, Irina V.,Medviediev, Volodomir V.,Arrault, Axelle

, p. 2293 - 2309 (2018/11/02)

Abstract: An efficient and simple synthetic protocol for the synthesis of a number methyl esters of 2-(N-hydroxycarbamimidoyl)benzoyl-substituted (S)-α-amino acids via subsequent coupling and hydroxyamination of 2-cyanobenzamide derivatives has been developed. Comparative analysis of three pseudopeptide series based on 2-cyano- and 2-amidoxime-substituted benzoic acid and its pyridine and pyrazine counterparts has been provided and it has revealed a practical advantage of the benzoic acid derivatives due to their greater availability. The impact of the nitrogen atom in the aromatic ring on the trans/cis-amide equilibrium in the proline derivatives is discussed. Graphical abstract: [Figure not available: see fulltext.]

A Novel Green Synthesis of Thalidomide and Analogs

Benjamin, Ellis,Hijji, Yousef M.

, (2017/09/19)

Thalidomide and its derivatives are currently under investigation for their antiangiogenic, immunomodulative, and anticancer properties. Current methods used to synthesize these compounds involve multiple steps and extensive workup procedures. Described herein is an efficient microwave irradiation green synthesis method that allows preparation of thalidomide and its analogs in a one-pot multicomponent synthesis system. The multicomponent synthesis system developed involves an array of cyclic anhydrides, glutamic acid, and ammonium chloride in the presence of catalytic amounts of 4-N,N-dimethylaminopyridine (DMAP) to produce thalidomide and structurally related compounds within minutes in good isolated yields.

Spectroscopic and analysis of the hydrolytic process of folpet and its interaction with DNA

Zhang, Yepeng,Zhang, Guowen

, p. 1388 - 1401 (2014/12/10)

Hydrolysis of the pesticide folpet [N-(trichloromethylthio) phthalimide] in aqueous solution in the absence or presence of calf thymus DNA (ctDNA) was investigated using UV-Vis absorption spectroscopy, and the interactions of folpet and its hydrolyzates with ctDNA were determined by fluorescence and circular dichroism spectroscopy, coupled with viscosity and melting temperature measurements. The absorption spectra data was further analyzed by alternate least squares, a chemometrics method, and the concentration profiles of the reacting species (folpet, unstable intermediate, phthalimide and phthalic acid) and their pure component spectra were simultaneously extracted to monitor the hydrolytic process. It was found that the hydrolytic process consists of at least two steps, generation of an unstable intermediate and production of its end hydrolyzates, phthalimide and phthalic acid. Addition of ctDNA significantly affects the hydrolysis of folpet. The results from the competitive binding with intercalator ethidium bromide, ctDNA melting and viscosity measurements, and circular dichroism studies indicate that folpet and the intermediate can intercalate into the double-helix of DNA, phthalic acid is bound to DNA by a partial intercalation, while phthalimide does not show binding to ctDNA. Moreover, the binding of folpet (or the intermediate) and phthalic acid to ctDNA induced structural changes of the DNA.

Electrochemical reduction of N,N′-thiobisphthalimide and N,N′-dithiobisphthalimide: Ejection of diatomic sulfur through an autocatalytic mechanism

Hamed, Emad M.,Koczkur, Kallum M.,Houmam, Abdelaziz

, p. 22600 - 22610 (2015/02/02)

The electrochemical reduction of N,N′-dithiobisphthalimide and N,N′-thiobisphthalimide is investigated using electrochemical techniques and theoretical calculations. The results are rationalized using adequate electron transfer theories. The reduction leads to the ejection of diatomic sulfur and involves an interesting autocatalytic mechanism. This mechanism is dependent on the concentration of the initial compound and the cyclic voltammetric scan rate. The starting material is reduced both at the electrode and through homogeneous electron transfer from the produced sulfur. The initial electron transfer follows a stepwise mechanism involving the formation of the corresponding radical anion. This is supported by both the electrochemical data and the theoretical calculation results. The radical anion of the N,N′-dithiobisphthalimide dissociates through cleavage of the N-S chemical bond and not the S-S chemical bond. Application of the extension of the dissociative electron transfer theory to the dissociation of radical anions shows that the N-S chemical bond dissociates despite being stronger than the S-S chemical bond. This is due to the large difference in the oxidation potentials of the two potential anions (the phthalimidyl anion and the phthalimidyl thiyl anion). The electrochemical reduction of N,N′-thiobisphthalimide involves the intermediate formation of N,N′-dithiobisphthalimide and hence the autocatalytic process is less efficient.

Ammonolysis of anilides promoted by ethylene glycol and phosphoric acid

Stephenson, Nickeisha A.,Gellman, Samuel H.,Stahl, Shannon S.

, p. 46840 - 46843 (2014/12/10)

Ethylene glycol (EG) and phosphoric acid have been found to promote the ammonolysis of a variety of diverse anilides as well as N-aryl carbamate, phthalimide, and urea substrates in the absence of transition metals or other Lewis acid promoters.

Mechanistic aspects of oxidation of dextrose by N-bromophthalimide in acidic medium: A micellar kinetic study

Singh, Minu

, p. 469 - 484 (2013/07/27)

Kinetic investigations of oxidation of dextrose by N-bromophthalimide (NBP) in acidic medium in the presence of mercuric(II) acetate as a scavenger have been studied. In both the absence and presence of surfactants, the oxidation kinetics of dextrose by NBP shows a first-order dependence on NBP, fractional order on dextrose, and negative fractional order dependence on sulfuric acid. The determined stoichiometric ratio was 1:1 (dextrose:NBP). The variation of Hg(OAC)2 and phthalimide (reaction product) have an insignificant effect on reaction rate. Effects of surfactants, added acrylonitrile, added salts, and solvent composition variation have been studied. Activation parameters for the reaction have been evaluated from Arrhenius plot by studying the reaction at different temperature. The rate law has been derived on the basis of obtained data. A plausible mechanism has been proposed from the results of kinetic studies, reaction stoichiometry and product analysis. The role of anionic and non-ionic micelle was best explained by the Berezin's model.

Oxidative C-O cross-coupling of 1,3-dicarbonyl compounds and their heteroanalogues with N-substituted hydroxamic acids and N-hydroxyimides

Terent'Ev, Alexander O.,Krylov, Igor B.,Timofeev, Vladimir P.,Starikova, Zoya A.,Merkulova, Valentina M.,Ilovaisky, Alexey I.,Nikishin, Gennady I.

, p. 2375 - 2390 (2013/10/01)

The oxidative C-O cross-coupling of 1,3-dicarbonyl compounds and their heteroanalogues, 2-substituted malononitriles and cyanoacetic esters, with N-substituted hydroxamic acids and N-hydroxy- imides was realized. The best results were obtained with the use of manganese (III) acetate [Mn (OAc) 3] or the cobalt(II) acetate catalyst [Co (OAc)2cat.]/ potassium permanganate [KMnO4] system as the oxidant. The synthesis can be scaled up to gram quantities of coupling products; yields are 30-94%. The reaction proceeds via a radical mechanism through the formation of nitroxyl radicals from N-substituted hydroxamic acids and N-hydroxyimides.

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