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1H-Isoindole-1,3(2H)-dione, 2-[(4-fluorophenyl)methyl]-, also known as 2-(4-fluorobenzyl)phthalimidine, is an organic compound with the molecular formula C15H10FNO2. It is a derivative of phthalimidine, featuring a 4-fluorophenylmethyl group attached to the nitrogen atom at position 2. 1H-Isoindole-1,3(2H)-dione, 2-[(4-fluorophenyl)methyl]- is characterized by its white crystalline appearance and is soluble in organic solvents. It is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly those containing the phthalimidine moiety. The presence of the fluorine atom in the molecule can influence its reactivity, stability, and biological activity, making it a valuable building block in the development of new compounds with potential therapeutic or pesticidal properties.

318-49-0

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318-49-0 Usage

Psychoactive Drug

Fluspidine has mind-altering effects and is used to treat various mental health conditions.

Anxiolytic Properties

Fluspidine helps in reducing anxiety symptoms and promoting a sense of well-being.

Antipsychotic Properties

The compound exhibits properties that help in managing and treating symptoms of psychosis, such as hallucinations and delusions.

Sigma Receptor Agonist

Fluspidine acts on sigma receptors in the brain, which are involved in various neurological processes, including mood regulation and sensory perception.

Potential Use

Fluspidine has been studied for its potential use in treating anxiety, schizophrenia, and depression.

Neurotransmitter Modulation

The compound is believed to modulate the release of neurotransmitters like dopamine, serotonin, and glutamate, which may contribute to its therapeutic effects.

Further Research Needed

More studies are required to fully understand the pharmacological mechanisms and clinical applications of fluspidine, indicating that its use in treating mental health conditions is still being explored.

Check Digit Verification of cas no

The CAS Registry Mumber 318-49-0 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 8 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 318-49:
(5*3)+(4*1)+(3*8)+(2*4)+(1*9)=60
60 % 10 = 0
So 318-49-0 is a valid CAS Registry Number.

318-49-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(4-fluorobenzyl)phthalimide

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:318-49-0 SDS

318-49-0Relevant academic research and scientific papers

Graphene Oxide: A Metal-Free Carbocatalyst for the Synthesis of Diverse Amides under Solvent-Free Conditions

Patel, Khushbu P.,Gayakwad, Eknath M.,Patil, Vilas V.,Shankarling, Ganapati S.

supporting information, p. 2107 - 2116 (2019/03/26)

An environmentally friendly, inexpensive, carbocatalyst, graphene oxide (GO) promoted efficient, metal-free transamidation of various carboxamides with aliphatic, cyclic, and aromatic amines is demonstrated. The protocol is equally applicable to phthalimide, urea, and thioamide determining its adaptability. The oxygenated functionalities such as carbonyl (?C=O), epoxy (?O?), carboxyl (?COOH) and hydroxyl (?OH), present on graphene oxide surface impart acidic properties to the catalyst. The graphene oxide being heterogeneous in nature, work efficiently under solvent-free reaction conditions providing desired products in good to excellent yields. The one-pot synthesis of 2,3-Dihydro-5H-benzo[b]-1,4-thiazepin-4-one moiety by GO catalyzed Aza Michael addition followed by intramolecular transamidation is also described. A plausible reaction mechanistic pathway involving H-bonding is discussed. The graphene oxide can be recycled and reused up to five cycles without much loss in catalytic activity. (Figure presented.).

Alkoxide-Catalyzed Hydrosilylation of Cyclic Imides to Isoquinolines via Tandem Reduction and Rearrangement

Wu, Xiaoyu,Ding, Guangni,Yang, Liqun,Lu, Wenkui,Li, Wanfang,Zhang, Zhaoguo,Xie, Xiaomin

supporting information, p. 5610 - 5613 (2018/09/12)

An alkoxide-catalyzed hydrosilylation of cyclic imides to isoquinolines was realized via tandem reduction and rearrangement. Using TMSOK as the catalyst and (EtO)2MeSiH as the reductant, a series of cyclic imides containing different functional groups were reduced to the corresponding 3-aryl isoquinolines in moderate to good yields. The scenario of the reaction pathway was supposed to involve the reduction of imides to ω-hydroxylactams, which underwent rearrangement in the presence of a base catalyst, and then the carbonyl reduction, followed by siloxy elimination.

Visible-Light-Mediated Efficient Metal-Free Catalyst for α-Oxygenation of Tertiary Amines to Amides

Zhang, Yu,Riemer, Daniel,Schilling, Waldemar,Kollmann, Jiri,Das, Shoubhik

, p. 6659 - 6664 (2018/06/25)

A metal-free system has been discovered for the efficient α-oxygenation of tertiary amines to the corresponding amides using oxygen as an oxidant. This visible-light-mediated oxygenation reaction exhibited excellent substrates scope under mild reaction conditions and generated water as the only byproduct. The synthetic utility of this approach has been demonstrated by applying onto drug molecules. At the end, detailed mechanistic reactions clearly showed the role of oxygen and the photocatalyst.

MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS

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Paragraph 00395, (2017/09/05)

The present invention relates to novel manganese complexes and their use, inter alia, for homogeneous catalysis in (1) the preparation of imine by dehydrogenative coupling of an alcohol and amine; (2) C-C coupling in Michael addition reaction using nitriles as Michael donors; (3) dehydrogenative coupling of alcohols to give esters and hydrogen gas (4) hydrogenation of esters to form alcohols (including hydrogenation of cyclic esters (lactones) or cyclic di-esters (di- lactones), or polyesters); (5) hydrogenation of amides (including cyclic dipeptides, lactams, diamide, polypeptides and polyamides) to alcohols and amines (or diamine); (6) hydrogenation of organic carbonates (including polycarbonates) to alcohols or hydrogenation of carbamates (including polycarbamates) or urea derivatives to alcohols and amines; (7) dehydrogenation of secondary alcohols to ketones; (8) amidation of esters (i.e., synthesis of amides from esters and amines); (9) acylation of alcohols using esters; (10) coupling of alcohols with water and a base to form carboxylic acids; and (11) preparation of amino acids or their salts by coupling of amino alcohols with water and a base. (12) preparation of amides (including formamides, cyclic dipeptides, diamide, lactams, polypeptides and polyamides) by dehydrogenative coupling of alcohols and amines; (13) preparation of imides from diols.

COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME

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Page/Page column 213; 214; 215; 216; 217; 229, (2017/04/11)

Disclosed are compounds of general formula (I) that promote readthrough of a premature termination codon (PTC) of an RNA molecule in a translation system, and their use, alone or in combination with other compounds, such as aminoglycoside, to treat diseases or disorders ameliorated by modulation of a premature termination codon (PTC) of an RNA molecule in a translation system. The disorder or disease may be Dystrophic epidermolysis bullosa, Batten disease, Duchenne muscular dystrophy, cancer, and spinal muscular atrophy. Ar-L-B (I)

Synthetic method of astemizole drug intermediate N-(4-fluorobenzyl)phthalimide

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Paragraph 0013; 0014, (2016/11/09)

A synthetic method of astemizole drug intermediate N-(4-fluorobenzyl)phthalimide comprises the following steps: adding 0.21mol of stannous chloride, 230ml of nitromethane and 0.51mol of N-aminomethylphthalimide to a reaction container provided with a stirrer, a thermometer, a reflux condenser and a dropping funnel, controlling the stirring speed to be 130-170rpm, heating the obtained solution to 60-65DEG C, maintaining refluxing for 3-4h, adding 0.71-0.73mol of fluorobenzene, heating to 70-75DEG C after fluorobenzene addition is finished, reacting for 19-21h, cooling the solution to 10-15DEG C, adding 230ml of a potassium chloride solution and 90ml of an oxalic acid solution, maintaining the stirring speed at 140-160rpm for 90-120min, precipitating a solid, carrying out pumping filtration, washing the obtained solid with a salt solution, dehydrating through a dehydrating agent, washing the dehydrated solid with cyclohexane, and recrystallizing the washed solid in acetonitrile to obtain a white crystal N-(4-fluorobenzyl)phthalimide.

Transamidation catalysed by a magnetically separable Fe3O4 nano catalyst under solvent-free conditions

Thale, Pranila B.,Borase, Pravin N.,Shankarling, Ganapati S.

, p. 52724 - 52728 (2016/06/14)

An environmentally benign protocol for transamidation of carboxamides with different amines under solvent free conditions using magnetically separable nano Fe3O4 as a heterogeneous catalyst is developed. The series of aryl and alkyl amines with long chain alkyl substituents have been selectively converted into transamide products. The current protocol offers a diverse substrate scope with good yield of the product. The Fe3O4 nano catalyst has also been used for formylation of amines via transamidation of dimethyl formamide. Efficient transamidation, ease of work up, simple separation and reusability of the catalyst for up to six runs are the important highlights of this process.

Cuprous Oxide Catalyzed Oxidative C-C Bond Cleavage for C-N Bond Formation: Synthesis of Cyclic Imides from Ketones and Amines

Wang, Min,Lu, Jianmin,Ma, Jiping,Zhang, Zhe,Wang, Feng

supporting information, p. 14061 - 14065 (2016/01/25)

Selective oxidative cleavage of a C-C bond offers a straightforward method to functionalize organic skeletons. Reported herein is the oxidative C-C bond cleavage of ketone for C-N bond formation over a cuprous oxide catalyst with molecular oxygen as the oxidant. A wide range of ketones and amines are converted into cyclic imides with moderate to excellent yields. In-depth studies show that both α-C-H and β-C-H bonds adjacent to the carbonyl groups are indispensable for the C-C bond cleavage. DFT calculations indicate the reaction is initiated with the oxidation of the α-C-H bond. Amines lower the activation energy of the C-C bond cleavage, and thus promote the reaction. New insight into the C-C bond cleavage mechanism is presented.

Structure-based design of phthalimide derivatives as potential cyclooxygenase-2 (COX-2) inhibitors: Anti-inflammatory and analgesic activities

Alanazi, Amer M.,El-Azab, Adel S.,Al-Suwaidan, Ibrahim A.,Eltahir, Kamal Eldin H.,Asiri, Yousif A.,Abdel-Aziz, Naglaa I.,Abdel-Aziz, Alaa A.-M.

, p. 115 - 123 (2015/02/19)

A group of 30 cyclic imides (1-10a-c) was designed for evaluation as a selective COX-2 inhibitor and investigated in vivo for anti-inflammatory and analgesic activities. Compounds 6a, 6b, 7a and 7b exhibit optimal COX-2 inhibitory potency (IC50 Combining double low line 0.18, 0.24, 0.28 and 0.36 μM; respectively) and selectivity index (SI) range of 363-668. In vitro COX-1/COX-2 inhibition structure-activity studies identified compound 6a as a highly potent (IC50 Combining double low line 0.18 μM), and an extremely selective [COX-2 (SI) Combining double low line 668] comparable to celecoxib [COX-2 (SI) > 384], COX-2 inhibitor that showed superior anti-inflammatory activity (ED50 Combining double low line 54.0 mg/kg) relative to diclofenac (ED50 Combining double low line 114 mg/kg). Molecular Docking study of the synthesized compound 6a into the active site of COX-2 revealed a similar binding mode to SC-558, a selective COX-2 inhibitor. Docking study showed that the methoxy moeities of 6a inserted deep inside the 2°-pocket of the COX-2 active site, where the O-atoms of such groups underwent an H-bonding interaction with His90 (3.02 g.,), Arg513 (1.94, 2.83 g.,), and Gln192 (3.25 g.,).

Efficient conversion of acids and esters to amides and transamidation of primary amides using OSU-6

Nammalwar, Baskar,Muddala, Nagendra Prasad,Watts, Field M.,Bunce, Richard A.

, p. 9101 - 9111 (2015/11/09)

OSU-6, an MCM-41 type hexagonal mesoporous silica with strong Bronsted acid properties, has been used to promote the high-yield conversion of carboxylic acids and esters to carboxamides as well as transamidations of primary amides in a one-pot solventless approach. A metal-free heterogeneous catalyst that promotes all of these processes has not been previously reported. OSU-6 enables these transformations to proceed in shorter times and at lower temperatures for a broad range of substrates. An added benefit is that the catalyst can be recycled and reused multiple times without significant loss of activity.

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