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2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenethiol is an organic compound characterized by its unique molecular structure. It features a benzene ring with a thiol group (-SH) attached at the 2nd position, and a pyrrole ring system at the 1st position. The pyrrole ring is substituted with two methyl groups at the 2nd and 5th positions, which contribute to the compound's distinct chemical properties. 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenethiol is known for its potential applications in the synthesis of various organic molecules and materials, particularly in the fields of pharmaceuticals and agrochemicals. Its chemical formula is C11H11NS, and it has a molecular weight of 191.28 g/mol. The compound's structure and properties make it a valuable intermediate in the development of new chemical entities with specific therapeutic or pesticidal activities.

88613-63-2

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88613-63-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 88613-63-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,8,6,1 and 3 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 88613-63:
(7*8)+(6*8)+(5*6)+(4*1)+(3*3)+(2*6)+(1*3)=162
162 % 10 = 2
So 88613-63-2 is a valid CAS Registry Number.

88613-63-2Relevant academic research and scientific papers

Zinc tetrafluoroborate-catalysed synthesis of highly substituted pyrroles by a solvent-free reaction

Ranu, Brindaban C.,Ghosh, Sudip,Das, Arijit

, p. 220 - 221 (2006)

A simple and highly efficient synthesis of penta- and tri-substituted pyrroles has been developed using the Paal-Knorr reaction catalysed by aqueous zinc tetrafluoroborate at room temperature under solvent-free conditions.

An expeditious and highly efficient synthesis of substituted pyrroles using a low melting deep eutectic mixture

Alvi, Shakeel,Ali, Rashid

, p. 9732 - 9745 (2021/12/01)

An expeditious green method for the synthesis of diverse valued substituted pyrroles through a Paal-Knorr condensation reaction, using a variety of amines and 2,5-hexanedione/2,5-dimethoxytetrahydrofuran in the presence of a low melting mixture ofN,N’-dimethylurea andL-(+)-tartaric acid (which acts as a dual catalyst/solvent system), has fruitfully been revealed. Herein, we have disclosed the applicability of this simple yet effective strategy for the generation of mono- and dipyrroles in good to excellent yields. Moreover,C3-symmetric tripyrrolo-truxene derivatives have also been assembled by means of cyclotrimerization, Paal-Knorr and Clauson-Kaas reactions as crucial steps. Interestingly, the melting mixture was recovered and reused with only a gradual decrease in the catalytic activity (over four cycles) without any significant drop in the yield of the product. This particular methodology is simple, rapid, environmental friendly, and high yielding for the generation of a variety of pyrroles. To the best of our knowledge, the present work reveals the fastest greener method reported up to this date for the construction of substituted pyrroles by utilizing the Paal-Knorr synthetic protocol, achieving impressive yields under operationally simple reaction conditions without involving any precarious/dangerous catalysts or unsafe volatile organic solvents.

The Paal-Knorr reaction revisited. A catalyst and solvent-free synthesis of underivatized and N-substituted pyrroles

Cho, Hyejin,Madden, Richard,Nisanci, Bilal,T?r?k, Bla

, p. 1088 - 1099 (2015/03/04)

A new, modified synthesis of pyrroles is described. The reaction of 2,5-hexandione with a variety of amines yielded the expected pyrrole analogues in excellent yields. The reactions were carried out under the ultimate green conditions excluding both catalyst and solvent applying simple stirring at room temperature. The variety of amines include aqueous ammonium hydroxide for the synthesis of pyrroles with a free NH group, and benzylamines, anilines and phenylene-diamines for the synthesis of several N-derivatized pyrroles. The reaction also occurs efficiently with a variety of 1,4-diketones, although the reaction rates and yields are lower for the diketones that do not possess terminal methyl group(s). This journal is

An expeditious and solvent-free synthesis of substituted pyrroles using sulfated anatase-titania as a solid acid catalyst

Ravi, Krishnaswamy,Krishnakumar, Balu,Swaminathan, Meenakshisundaram

, p. 370 - 375 (2013/05/08)

Sulfated anatase-titania (TiO2S4 21) has been used as a solid acid catalyst for the synthesis of substituted pyrroles from diketone and aromatic/aliphatic (acyclic and cyclic) primary amines by simple physical grinding. This sulfated titania gives an excellent yield with less reaction time and is an inexpensive, easily recyclable nanocatalytic material for this reaction. Higher catalytic activity of TiO2S 4 21 is due to its increased Broonsted acidity.

Paal-Knorr pyrrole synthesis using recyclable amberlite IR 120 acidic resin: A green approach

Devi, Aarti,Shallu,Sharma,Singh, Jasvinder

experimental part, p. 1480 - 1488 (2012/05/05)

Amberlite IR 120 acidic resin, a polymer matrix, has been demonstrated as a catalyst for Paal-Knorr condensation of 2,5-hexadione with primary amines under solvent-free conditions. This is an efficient, mild, and green methodology for N-substituted pyrrole derivatives. Copyright Taylor & Francis Group, LLC.

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