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50562-79-3

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50562-79-3 Usage

General Description

1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOLE-3-CARBALDEHYDE is a chemical compound having a complex structure with an indole core, which is a common feature in many natural and synthetic products. The '1-[(4-Methylphenyl)sulfonyl]' part of the molecule suggests the presence of a methylphenyl group which is attached through a sulfonyl linkage. The '1H-Indole-3-Carbaldehyde' part of the molecule implies the presence of an aldehyde functional group at the third position of the indole ring system. This chemical could potentially be utilized in various organic chemistry reactions or studies due to its unique and complex structure. However, detailed information regarding its properties, potential applications, risks, and safety measures is not openly mentioned and might require further scientific research.

Check Digit Verification of cas no

The CAS Registry Mumber 50562-79-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,5,6 and 2 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 50562-79:
(7*5)+(6*0)+(5*5)+(4*6)+(3*2)+(2*7)+(1*9)=113
113 % 10 = 3
So 50562-79-3 is a valid CAS Registry Number.
InChI:InChI=1/C16H13NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-11H,1H3

50562-79-3Relevant articles and documents

Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors

Murafuji, Hidenobu,Muto, Tsuyoshi,Goto, Megumi,Imajo, Seiichi,Sugawara, Hajime,Oyama, Yoshiaki,Minamitsuji, Yutaka,Miyazaki, Shuji,Murai, Kenichi,Fujioka, Hiromichi

, p. 334 - 338 (2019)

A series of imidazolinylindole derivatives were discovered as novel kallikrein 7 (KLK7, stratum corneum chymotryptic enzyme) inhibitors. Structure-activity relationship (SAR) studies led to the identification of potent human KLK7 inhibitors. By further modification of the benzenesulfonyl moiety to overcome species differences in inhibitory activity, potent inhibitors against both human and mouse KLK7 were identified. Furthermore, the complex structure of 25 with mouse KLK7 could explain the SAR and the cause of the species differences in inhibitory activity.

Synthesis, Molecular and Crystal Structure Analysis of 1-(4- Methylbenzenesulfonyl)indole-3-carbaldehyde and DFT Investigation of Its Rotational Conformers

Julio, Zukerman-Schpector,Madureira, Lucas Sousa,Wulf,Stefani, Helio A.,Vasconcelos, Stanley N.S.,Ng,Tiekink, Edward R.T.

, p. 1990 - 2003 (2014)

Two independent molecules that differ in terms of rotation about the central S-N bond comprise the asymmetric unit of the title compound 1. The molecules have a V-shape with the dihedral angles between the fused ring system and benzene ring being 79.08(6)

Synthesis of Indole/Benzofuran-Containing Diarylmethanes through Palladium-Catalyzed Reaction of Indolylmethyl or Benzofuranylmethyl Acetates with Boronic Acids

Arcadi, Antonio,Calcaterra, Andrea,Chiarini, Marco,Fabrizi, Giancarlo,Fochetti, Andrea,Goggiamani, Antonella,Iazzetti, Antonia,Marrone, Federico,Marsicano, Vincenzo,Serraiocco, Andrea

supporting information, p. 741 - 753 (2021/11/26)

The palladium-catalyzed synthesis of indole/benzofurancontaining diarylmethanes starting from indolylmethyl or benzofuranylmethyl acetates with boronic acids has been investigated. The success of the reaction is influenced by the choice of precatalyst: with indolylmethyl acetates the reaction works well with [Pd(η3-C3H5)Cl]2/XPhos while with benzofuranylmethyl acetates Pd2(dba)3/XPhos is more efficient. The good to high yields and the simplicity of the experimental procedure make this protocol a versatile synthetic tool for the preparation of 2- and 3-substituted indoles and 2-benzo[b]furans. The methodology can be advantageously extended to the preparation of a key precursor of Zafirlukast.

Recyclable and reusablen-Bu4NBF4/PEG-400/H2O system for electrochemical C-3 formylation of indoles with Me3N as a carbonyl source

Cheng, Didi,Li, Jingyi,Li, Yujin,Ling, Fei,Liu, Lei,Liu, Tao,Zhong, Weihui

supporting information, p. 4107 - 4113 (2021/06/17)

A safe, practical and eco-friendly electrochemical methodology for the synthesis of 3-formylated indoles has been developed by the utilization of Me3N as a novel formylating reagent. Stoichiometric oxidants, metal catalysts, and activating agents were avoided in this method, and an aqueous biphasic system ofn-Bu4NBF4/PEG-400/H2O was used as a recyclable and reusable reaction medium, which made this electrosynthesis approach more sustainable and environmentally friendly. This process expanded the substrate scope and functional group tolerance for bothN-EDG andN-EWG indoles. Furthermore, late-stage functionalization and total/formal synthesis of drugs and natural products were realized by means of this route.

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