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3-(1H-indol-3-yl)-3H-isobenzofuran-1-one, also known as isogermacrene A, is a complex chemical compound belonging to the isobenzofuranone class. It features both an indole and isobenzofuran ring system, and is found in various natural sources such as plants and fungi, where it may contribute to defense mechanisms or other biological processes. Its distinctive structure and potential biological activities render it a promising candidate for further research and applications in medicine and other fields.

6936-87-4

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6936-87-4 Usage

Uses

Used in Pharmaceutical Industry:
3-(1H-indol-3-yl)-3H-isobenzofuran-1-one is used as a pharmaceutical agent for its potential biological activities. Given its presence in natural sources and its complex molecular structure, it may offer therapeutic benefits that are yet to be fully explored and understood.
Used in Chemical Research:
In the field of chemical research, 3-(1H-indol-3-yl)-3H-isobenzofuran-1-one serves as a subject of study for understanding its chemical properties, synthesis pathways, and potential reactions with other compounds. This research can lead to the development of new drugs or materials.
Used in Natural Product Analysis:
3-(1H-indol-3-yl)-3H-isobenzofuran-1-one is utilized in the analysis of natural products to identify its role in the biological processes of plants and fungi. This can provide insights into the defensive mechanisms of these organisms and their interaction with the environment.
Used in Drug Development:
As a compound with potential biological activities, 3-(1H-indol-3-yl)-3H-isobenzofuran-1-one is used in drug development for exploring its efficacy in treating various conditions. Its unique structure may lead to the creation of new pharmaceuticals with novel mechanisms of action.
Used in Cosmetics Industry:
Given its natural occurrence and potential biological properties, 3-(1H-indol-3-yl)-3H-isobenzofuran-1-one may also find applications in the cosmetics industry, where it could be used for its potential benefits to skin health or as a fragrance component.

Check Digit Verification of cas no

The CAS Registry Mumber 6936-87-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,3 and 6 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6936-87:
(6*6)+(5*9)+(4*3)+(3*6)+(2*8)+(1*7)=134
134 % 10 = 4
So 6936-87-4 is a valid CAS Registry Number.
InChI:InChI=1/C16H11NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,15,17H

6936-87-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(1H-indol-3-yl)-3H-2-benzofuran-1-one

1.2 Other means of identification

Product number -
Other names 3-indol-3-yl-3H-isobenzofuran-1-one

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 -
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More Details:6936-87-4 SDS

6936-87-4Relevant academic research and scientific papers

Synthesis of new 3-arylaminophthalides and 3-indolyl-phthalides using ammonium chloride, evaluation of their anti-mycobacterial potential and docking study

Patil, Avinash,Duggal, Harleen,Bagul, Kamini T.,Kamble, Sonali,Lokhande, Pradeep,Gacche, Rajesh,Meshram, Rohan

, p. 723 - 739 (2020/10/22)

Objective: The study aims at the derivatization of “Phthalides” and synthesizes 3-arylaminophthalides & 3-indolyl-phthalides compounds, and evaluates their anti-tubercular and antioxidant activities. The study has also intended to employ the in silico methods for the identification of possible drug targets in Mycobacterium and evaluate the binding affinities of synthesized compounds. Methods: This report briefly explains the synthesis of phthalide derivatives using ammonium chloride. The synthesized compounds were characterized using spectral analysis. Resazurin Microtiter Assay (REMA) plate method was used to demonstrate the anti-mycobacterial activity of the synthesized compounds. An in-silico pharmacophore probing approach was used for target identification in Mycobacterium. The structural level interaction between the identified putative drug target and synthesized phthalides was studied using Lamarckian genetic algorithm-based software. Results and Discussion: In the present study, we report an effective, environmentally benign scheme for the synthesis of phthalide derivatives. Compounds 5c and 5d from the current series appear to possess good anti-mycobacterial activity. dCTP: deaminasedUTPase was identified as a putative drug target in Mycobacterium. The docking results clearly showed the interactive involvement of conserved residues of dCTP with the synthesized phthalide compounds. Conclusion: On the eve of evolving anti-TB drug resistance, the data on anti-tubercular and allied activities of the compounds in the present study demonstrates the enormous significance of these newly synthesized derivatives as possible candidate leads in the development of novel anti-tubercular agents. The docking results from the current report provide a structural rationale for the promising anti-tubercular activity demonstrated by 3-arylaminophthalides and 3-indolyl-phthalides compounds.

Synthesis of 2-substituted-3-(1H-indol-3-yl)isoindolin-1-one derivatives in water under catalyst-free conditions

Chen, Fanglei,Lei, Min,Hu, Lihong

, p. 2472 - 2479 (2014/05/06)

A series of 3-(1H-indol-3-yl)isoindolin-1-one derivatives were synthesized by the three-component reaction of a phthalaldehydic acid, primary amine, and 1H-indole in water under catalyst-free conditions. The reaction presented here has several advantages, such as clean, one-pot, and easy handling. The environmentally-friendly features make this procedure a sustainable method for the synthesis of 3-(1H-indol-3-yl)isoindolin-1-ones. the Partner Organisations 2014.

Highly efficient synthesis of 3-indolyl-substituted phthalides via Friedel-Crafts reactions in water

Lin, Hua,Sun, Xing-Wen

, p. 5343 - 5346 (2008/12/22)

An efficient and simple method for the synthesis of 3-indolyl-substituted phthalides via Friedel-Crafts reaction of indoles with 2-formylbenzoic acids in pure water has been developed. The reaction affords a wide range of 3-indolyl-substituted phthalides

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