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1-ISOPROPYL-1H-INDOLE-2,3-DIONE, commonly known as isatin, is a heterocyclic organic compound with the chemical formula C10H9NO2. It is a white to off-white solid that is widely recognized for its diverse biological activities and its role as a precursor in the synthesis of various pharmaceuticals, agrochemicals, and dyes. Isatin's unique structure and properties make it a valuable chemical building block for the development of novel compounds with potential therapeutic applications.

10487-31-7

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10487-31-7 Usage

Uses

Used in Pharmaceutical Industry:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used as a precursor in the synthesis of various pharmaceuticals for its ability to be easily incorporated into complex molecular structures. Its versatile chemical properties allow for the creation of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used as a starting material in the development of agrochemicals, such as pesticides and herbicides, due to its potential to be modified and functionalized for specific agricultural applications.
Used in Dye Industry:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used in the production of dyes, taking advantage of its chemical structure to create a range of colors for various applications, including textiles and other industrial processes.
Used in Antimicrobial Applications:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used as an antimicrobial agent for its antibacterial, antiviral, and antifungal properties, making it a potential candidate for the development of new treatments against infectious diseases.
Used in Anticancer Research:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used in the study of its anticancer properties, with research exploring its potential to treat various types of cancer. Its diverse biological activities suggest that it may have a role in modulating signaling pathways and inhibiting tumor growth.
Used in Neurodegenerative Disorder Research:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used in the investigation of its potential to treat neurodegenerative disorders, given its demonstrated biological activities that may be beneficial in managing or treating such conditions.
Used in Chemical Synthesis:
1-ISOPROPYL-1H-INDOLE-2,3-DIONE is used as a chemical building block in the synthesis of novel compounds, leveraging its reactivity and structural features to create new molecules with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 10487-31-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,4,8 and 7 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 10487-31:
(7*1)+(6*0)+(5*4)+(4*8)+(3*7)+(2*3)+(1*1)=87
87 % 10 = 7
So 10487-31-7 is a valid CAS Registry Number.
InChI:InChI=1/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3

10487-31-7SDS

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 1-propan-2-ylindole-2,3-dione

1.2 Other means of identification

Product number -
Other names 1-1-methylethylindoline-2,3-dione

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:10487-31-7 SDS

10487-31-7Relevant academic research and scientific papers

Use of pyridinium chlorochromate and reusable polyaniline salt catalyst combination for the oxidation of indoles

Kumar, Chebolu Naga Sesha Sai Pavan,Devi, Chebrolu Lavanya,Rao, Vaidya Jayathirtha,Palaniappan, Srinivasan

, p. 2023 - 2027 (2008)

A novel method is described herein for the simple, convenient and efficient oxidation of indoles to isatins using pyridinium chlorochromate with the aid of polyaniline salt catalyst at room temperature or at reflux in dichloroethane. Interestingly, oxidation of 3-alkyl indoles by this procedure gave 3-hydroxy 3-alkyl oxindoles. On the other hand, indol-3-alkanols gave mixtures of isatins and 3-formyl indoles. This is the first example of use of polyaniline as a catalyst in oxidation reaction.

Visible-Light-Mediated Ir(III)-Catalyzed Concomitant C3 Oxidation and C2 Amination of Indoles

Shukla, Gaurav,Alam, Tipu,Srivastava, Hemant Kumar,Kumar, Ritush,Patel, Bhisma K.

, p. 3543 - 3547 (2019)

A visible-light-mediated concomitant C3 oxidation and C2 amination of indoles has been achieved at room temperature using an Ir (III) photocatalyst. This reaction proceeds without an isatin intermediate via the attack of a singlet oxygen at the C3 positio

A convenient methodology for the N-alkylation of isatin compounds

Garden, Simon J.,Torres, Jose C.,Da Silva, Leonardo E.,Pinto, Angelo C.

, p. 1679 - 1689 (1998)

A simple, high yielding, methodology for the N-alkylation of substituted isatin derivatives using calcium hydride in DMF is detailed.

Active sp3 C-H Bond Oxidation Initiated sp3-sp2 Consecutive C-H Functionalization of N-Arylglycine Amides: Construction of Isatins

Ji, Honghe,Zhu, Yingzu,Shao, Yu,Liu, Jing,Yuan, Yu,Jia, Xiaodong

, p. 9859 - 9865 (2017)

In the presence of catalytic triarylamine radical cation, an sp3-sp2 consecutive C-H functionalization of N-arylglycine amides was achieved, providing a series of isatin derivatives in high yields. In this transformation, the initial aerobic oxidation of the relatively active sp3 C-H bonds triggered the following intramolecular cyclization, in which the aniline group was employed as a removable auxiliary group to enable the consecutive process.

Design, synthesis, and biological evaluation of 1,2,3-triazole-linked triazino[5,6-b]indole-benzene sulfonamide conjugates as potent carbonic anhydrase I, II, IX, and XIII inhibitors

Angeli, Andrea,Arifuddin, Mohammed,Biswas, Rashmita,Chinchilli, Krishna Kartheek,Korra, Laxman Naik,Supuran, Claudiu T.,Thacker, Pavitra S.

, (2020)

A series of 1,2,3-triazole-linked triazino[5,6-b]indole-benzene sulfonamide hybrids (6a– 6o) was synthesized and evaluated for carbonic anhydrase (CA, EC 4.2.1.1) inhibitory activity against the human (h) isoforms hCA I, II, XIII (cytosolic isoforms), and hCA IX (transmembrane tumor-associated isoform). The results revealed that the compounds 6a–6o exhibited Ki values in the low to medium nanomolar range against hCA II and hCA IX (Kis ranging from 7.7 nM to 41.3 nM) and higher Ki values against hCA I and hCA XIII. Compound 6i showed potent inhibition of hCA II (Ki = 7.7nM), being more effective compared to the standard inhibitor acetazolamide (AAZ) (Ki = 12.1 nM). Compounds 6b and 6d showed moderate activity against hCA XIII (Ki= 69.8 and 65.8 nM). Hence, compound 6i could be consider as potential lead candidate for the design of potent and selective hCA II inhibitors.

Diversity-Oriented Synthesis of Oxacyclic Spirooxindole Derivatives through Ring-Closing Enyne Metathesis and Intramolecular Pauson–Khand (2+2+1) Cyclization of Oxindole Enynes

Kandimalla, Satheeshkumar Reddy,Sabitha, Gowravaram

, p. 3444 - 3453 (2017)

An efficient approach for a reagent-based diversity-oriented synthesis (DOS) of novel fused spirooxindole scaffolds from oxindole enynes has been developed. The reaction involves a metal-catalyzed C-3 allylation/vinylation/homoallylation of N-substituted isatins which gives rise to the corresponding alcohols that can be converted into the required enynes. Further transformation to diverse complex molecular scaffolds proceeds via a subsequent ruthenium-catalyzed ring-closing enyne metathesis (RCEYM), or cobalt-catalyzed intramolecular Pauson–Khand (2+2+1) cyclization reaction (IPKR). This strategy provides a facile approach to various spirooxindole-vinyldihydropyrans/tetrahydrooxepines and spirocyclic fused cyclopentenones in good to excellent yields. (Figure presented.).

Palladium-Catalyzed Cascade Hydrosilylation and Amino-Methylation of Isatin Derivatives

Liu, Yue,Xia, Yun-Tao,Cui, Su-Hang,Ji, Yi-Gang,Wu, Lei

, p. 2632 - 2636 (2020)

We demonstrate that using palladium acetate as a catalyst for reduction of DMF and isatin derivatives by hydrosilanes, a cascade hydrosilylation and amino-methylation reaction can be realized. With DMF as a reactant and a solvent, the in-situ generated siloxymethylamine intermediate, an adduct of DMF and hydrosilanes, smoothly participates in the successive stages, providing a serials of Si, N-functionalized indolin-2-ones in moderate to good yields. This strategy exhibits high chemoselectivity toward carbonyl moieties reduction among the substrates. (Figure presented.).

Novel hydrazido benzenesulfonamides-isatin conjugates: Synthesis, carbonic anhydrase inhibitory activity and molecular modeling studies

Abo-Ashour, Mahmoud F.,Eldehna, Wagdy M.,Nocentini, Alessio,Ibrahim, Hany S.,Bua, Silvia,Abou-Seri, Sahar M.,Supuran, Claudiu T.

, p. 28 - 36 (2018)

As a part of our ongoing efforts towards developing novel carbonic anhydrase inhibitors based on the isatin moiety, herein we report the synthesis and biological evaluation of novel sulfonamides (5a-h, 10a-g and 11a-c) incorporating substituted 2-indolinone moiety (as tail) linked to benzenesulfonamide (as zinc anchoring moiety) through a hydrazide linker. The synthesized sulfonamides were evaluated in vitro for their inhibitory activity against the following human (h) carbonic anhydrase (hCA, EC 4.2.1.1) isoforms, hCA I, II, IX and XII. All these isoforms were inhibited by the sulfonamides reported here in variable degrees. hCA I was inhibited with KIs in the range of 671.8: 3549.5 nM, hCA II in the range of 36.8: 892.4 nM; hCA IX in the range of 8.9: 264.5 nM, whereas hCA XII in the range of 9.0: 78.1 nM. In particular, compound 10b emerged as a single-digit nanomolar hCA IX and XII inhibitor (8.9 and 9.2 nM, respectively). Molecular docking studies carried out for compound 10b within the hCA II, IX and XII active sites allowed us to rationalize the obtained inhibition results.

Palladium catalyzed divergent cycloadditions of vinylidenecyclopropane-diesters with methyleneindolinones enabled by zwitterionic π-propargyl palladium species

Niu, Ben,Wei, Yin,Shi, Min

supporting information, p. 4783 - 4786 (2021/05/25)

A palladium-catalyzed divergent synthesis of spirooxindoles fused with a five- or a six-membered ring by a cycloaddition reaction of vinylidenecyclopropane-diesters with methyleneindolinones was disclosed. This protocol features anin situgenerated unprecedented zwitterionic π-propargyl palladium species in cycloaddition reactions and a switchable process between (3+2) and (4+2) cycloadditions by changing the phosphine ligand.

Catalytic Asymmetric Addition of Diorganozinc Reagents to Pyrazole-4,5-Diones and Indoline-2,3-Diones

Wang, Rong-Hui,Li, Ya-Ling,He, Hong-Jiao,Xiao, You-Cai,Chen, Fen-Er

supporting information, p. 4302 - 4306 (2021/02/16)

The catalytic enantioselective diorganozinc additions to cyclic diketones including pyrazolin-4,5-diones and isatins have been developed. In the presence of morpholine-containing chiral amino alcohol ligand, the corresponding chiral cyclic tertiary alcohols were produced in good to excellent yields (up to 97 %) and enantioselectivities (up to 95 % ee). The notable feature of this protocol includes its mild reaction conditions, Lewis acid additives free and broad functional group tolerance.

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