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2-(thiophen-3-yl)ethyl 4-methylbenzenesulfonate is a chemical compound characterized by the molecular formula C15H16O3S2. It features a thiophene ring connected to an ethyl group and a 4-methylbenzenesulfonate group, making it a versatile reagent in various chemical processes.

40412-09-7

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40412-09-7 Usage

Uses

Used in Organic Synthesis:
2-(thiophen-3-yl)ethyl 4-methylbenzenesulfonate is utilized as a reagent for introducing sulfonate groups into organic molecules, which is crucial for enhancing the solubility and reactivity of these molecules in various chemical reactions.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 2-(thiophen-3-yl)ethyl 4-methylbenzenesulfonate serves as a building block for the synthesis of bioactive compounds. Its unique structure contributes to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, 2-(thiophen-3-yl)ethyl 4-methylbenzenesulfonate is employed as a precursor in the synthesis of various agrochemicals, including pesticides and herbicides, due to its ability to be incorporated into the molecular structures of these products.
Used in Material Science:
2-(thiophen-3-yl)ethyl 4-methylbenzenesulfonate has potential applications in material science, where it can be used to modify the physical and chemical properties of materials, potentially improving their performance in various applications.
Used in Polymer Chemistry:
In the field of polymer chemistry, 2-(thiophen-3-yl)ethyl 4-methylbenzenesulfonate is valuable for its ability to alter the characteristics of polymers, which can lead to the creation of new materials with specific properties tailored for different uses.

Check Digit Verification of cas no

The CAS Registry Mumber 40412-09-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,4,1 and 2 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 40412-09:
(7*4)+(6*0)+(5*4)+(4*1)+(3*2)+(2*0)+(1*9)=67
67 % 10 = 7
So 40412-09-7 is a valid CAS Registry Number.

40412-09-7Relevant academic research and scientific papers

Enantiomeric substituents determine the chirality of luminescent conjugated polythiophenes

Nilsson, K. Peter R.,Olsson, Johan D. M.,Konradsson, Peter,Inganaes, Olle

, p. 6316 - 6321 (2004)

Chiral isomers of 3-substituted polythiophenes with amino acid functiontionalized side chains are compared. The polymers show pH-dependent absorption, emission, and circular dichroism spectra in buffered aqueous solution. At pH equal to pi of the amino ac

Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors

Reddy, Damodara N.,Ballante, Flavio,Chuang, Timothy,Pirolli, Adele,Marrocco, Biagina,Marshall, Garland R.

supporting information, p. 1613 - 1633 (2016/03/05)

Selective inhibition of KDAC isoforms while maintaining potency remains a challenge. Using the largazole macrocyclic depsipeptide structure as a starting point for developing new KDACIs with increased selectivity, a combination of four different simplified largazole analogue (SLA) scaffolds with diverse zinc-binding groups (for a total of 60 compounds) were designed, synthesized, and evaluated against class I KDACs 1, 3, and 8, and class II KDAC6. Experimental evidence as well as molecular docking poses converged to establish the cyclic tetrapeptides (CTPs) as the primary determinant of both potency and selectivity by influencing the correct alignment of the zinc-binding group in the KDAC active site, providing a further basis for developing new KDACIs of higher isoform selectivity and potency.

ISOFORM-SELECTIVE LYSINE DEACETYLASE INHIBITORS

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Paragraph 0141-0143, (2016/11/21)

Isoform-selective lysine deacetylase inhibitors are described. Inhibitors of the lysine deacetylase enzyme are useful as antitumor drugs and for treating addiction, asthma, cardio-vascular disease, immunosuppression, neurodegenerative diseases, sepsis, sickle-cell disease, uveal melanoma and termination of viral latency, particularly HIV-1 latency.

Thiophene derivatives, water soluble conductive polymer and an aqueous solution thereof, and manufacturing method thereof

-

Paragraph 0137, (2017/04/27)

PROBLEM TO BE SOLVED: To provide a novel water-soluble thiophene derivative used as a conductive material, and novel water-soluble polythiophenes used as conductive materials.SOLUTION: The thiophene derivative is represented by formula (1) or an ammonium

Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy

Shaw, Megan H.,Croft, Rosemary A.,Whittingham, William G.,Bower, John F.

supporting information, p. 8054 - 8057 (2015/07/15)

A short entry to substituted azocanes by a Rh-catalyzed cycloaddition-fragmentation process is described. Specifically, exposure of diverse N-cyclopropylacrylamides to phosphine-ligated cationic Rh(I) catalyst systems under a CO atmosphere enables the directed generation of rhodacyclopentanone intermediates. Subsequent insertion of the alkene component is followed by fragmentation to give the heterocyclic target. Stereochemical studies show, for the first time, that alkene insertion into rhodacyclopentanones can be reversible.

New and efficient synthetic approaches for the regioisomeric and iminium impurities of clopidogrel bisulfate

Aalla, Sampath,Gilla, Goverdhan,Anumula, Raghupathi Reddy,Charagondla, Kavitha,Vummenthala, Prabhakar Reddy,Padi, Pratap Reddy

, p. 1523 - 1526 (2013/02/23)

New and concise synthetic routes have been devised for the regioisomeric and iminium impurities of clopidogrel bisulfate. The synthesis features utilization of commercially available starting materials and simple reactions.

Synthesis of two novel cysteine-functionalized thiophenes

Cagnoli, Rita,Lanzi, Massimiliano,Mucci, Adele,Parenti, Francesca,Schenetti, Luisa

, p. 267 - 271 (2007/10/03)

The synthetic approach to methyl N-(tert-butoxycarbonyl)-S-(3-thienyl)-L- cysteinate (1) and methyl N-(tert-butoxycarbonyl)-S-[2-(3-thienyl)ethyl]-L- cysteinate (2) through tosylate intermediates is reported and discussed. These compounds, which combine the properties of the cysteine side-chain with those of the thiophene ring represent both potential bioactive molecules and interesting synthons for the development of new materials.

Triflic anhydride-promoted cyclization of sulfides: A convenient synthesis of fused sulfur heterocycles

Shevchenko, Nikolay E.,Nenajdenko, Valentine G.,Balenkova, Elizabeth S.

, p. 1191 - 1200 (2007/10/03)

A new approach to the synthesis of annulated sulfur heterocycles based on triflic anhydride-promoted cyclization of the hetaryl(aryl) containing alkyl sulfides was elaborated. Smooth demethylation of initially formed cyclic sulfonium salts by treatment with triethylamine afforded a number of five-, six- and seven-membered fused sulfur heterocycles. Unexpected ring opening took place in the reaction of diethylamine with 5-membered sulfonium salts.

New 1-(heterocyclylalkyl)-4-(propionanilido)-4-piperidinyl methyl ester and methylene methyl ether analgesics

Bagley,Thomas,Rudo,Spencer,Doorley,Ossipov,Jerussi,Benvenga,Spaulding

, p. 827 - 841 (2007/10/02)

A series of new 1-(heterocyclyalkyl)-4-(propionanilido)-4-piperidinyl methyl esters and methylene methyl ethers have been synthesized and pharmacologically evaluated. In the mouse hot-plate test, the majority of compounds exhibited an analgesia (ED50 1 mg/kg) superior to that of morphine. These studies revealed a pharmacological accommodation for many more structurally diverse and far bulkier aromatic ring systems than the corresponding components of the arylethyl groups of the prototypic methyl ester (carfentanil, 2) and methylene methyl ether (sufentanil, 3 and alfentanil, 4) 4-propionanilido analgesics. Compound 9A (methyl 1-[2-(1H-pyrazol-1-yl)-ethyl]-4-[(1-oxopropyl) phenylamino]-4-piperidinecarboxylate), which exhibited appreciable μ-opioid receptor affinity, was a more potent and short-acting analgesic, than alfentanil with less respiratory depression in the rat. On the other hand, the phthalimides 57A and 57B, which exhibited negligible affinity for opioid receptors associated with the mediation of nociceptive transmission (i.e., μ-, κ-, and δ-subtypes), displayed analgesic efficacy in all antinociception tests. In addition, while 57B, compared to clinical opioids, showed a superior recovery of motor coordination after regaining of righting reflex from full anesthetic doses in the rat rotorod test, 57A showed significantly less depression of cardiovascular function at supraanalgesic doses in the isoflurane-anesthetized rat.

Lewis-acid Promoted Aromatic Cyclization of &α-Chlorosulfides: Synthesis of Ethyl Isothiochroman-1-carboxylate and Related Compounds

Ishibashi, Hiroyuki,Okada, Motofumi,Iida, Kyoko,Ikeda, Masazumi

, p. 1527 - 1529 (2007/10/02)

A variety of ethyl isothiochroman-1-carboxylates and related compounds were synthesized by treatment of 2-chloro-2-acetates with stannic chloride in methylene chloride.The same procedure was applied to the synthesis of ethyl 4-chloro-4-methyltetrahydrothiopyran-2-carboxylate.Some isothiochroman-1-carboxylic acids were prepared and evaluated for antiinflammatory activity.Among the compounds tested, 7-phenoxyisothiochroman-1-carboxylic acid showed weak activity.

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