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ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE is a chemical compound characterized by the molecular formula C9H8O4S. It is an ester derivative featuring a thienyl group and two carbonyl groups attached to the butanoate chain. ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE is widely recognized for its role in organic synthesis and pharmaceutical research, where it serves as a versatile building block for constructing more complex molecules. Its potential in the development of innovative drugs and materials makes it a valuable asset in the scientific community. However, due to its inherent hazards and risks, it is crucial to handle ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE with caution and adhere to all safety protocols and guidelines.

36983-36-5

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36983-36-5 Usage

Uses

Used in Organic Synthesis:
ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE is used as a key intermediate in organic synthesis for the production of various complex organic molecules. Its unique structure allows for multiple points of reactivity, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Research:
In the pharmaceutical industry, ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE is utilized as a building block for the development of new drugs. Its structural features enable the creation of novel drug candidates with potential therapeutic applications. Researchers leverage its reactivity to design and synthesize molecules with specific biological activities, targeting a range of diseases and medical conditions.
Used in Material Science:
ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE also finds applications in the field of material science, where it contributes to the development of new materials with unique properties. Its incorporation into polymers, for instance, can lead to materials with enhanced thermal stability, mechanical strength, or other desirable characteristics. This makes it a promising candidate for applications in various industries, such as electronics, automotive, and aerospace.
Safety Considerations:
Given the potential hazards and risks associated with the use of ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE, it is essential to handle this chemical with care. Adhering to safety protocols and guidelines is crucial to minimize the risk of accidents and ensure the well-being of individuals involved in its production, handling, and use. Proper storage, handling, and disposal practices, as well as the use of appropriate personal protective equipment, are vital in mitigating the risks associated with ETHYL 2,4-DIOXO-4-(2-THIENYL)BUTANOATE.

Check Digit Verification of cas no

The CAS Registry Mumber 36983-36-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,6,9,8 and 3 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 36983-36:
(7*3)+(6*6)+(5*9)+(4*8)+(3*3)+(2*3)+(1*6)=155
155 % 10 = 5
So 36983-36-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O4S/c1-2-14-10(13)8(12)6-7(11)9-4-3-5-15-9/h3-5H,2,6H2,1H3

36983-36-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate

1.2 Other means of identification

Product number -
Other names 2,4-Dioxo-4-thiophen-2-yl-butyric acid ethyl ester

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:36983-36-5 SDS

36983-36-5Downstream Products

36983-36-5Relevant academic research and scientific papers

Hybrid organoruthenium(II) complexes with thiophene-β-diketo-benzazole ligands: Synthesis, optical properties, CT-DNA interactions and anticancer activity

Alfaifi, Mohammad Y.,El-Sayed, W. N.,Elbehairi, Serag Eldin I.,Elshaarawy, Reda F. M.,Gad, Emad M.,Ismail, Lamia A.

, (2021)

Two new hybrid half‐sandwiched Ru(II) arene complexes of a general formula [η6-(p-cymene)Ru(L)Cl] (4a,b) {where L = 1-(Benzazol-2-yl)-3-(thiophen-2-yl) propane-1,3-dione} were synthesized and characterized. Spectral and elemental analysis revealed that these complexes have tetrahedral piano stool‐like geometry with a coordination environment composed of two O atoms of ligand, chloride ion, and electron cloud of p‐cymene moiety. The CT-DNA–Ru(II) complexes interactions were evaluated based on absorption and emission titration experiments. The results have shown intercalative modes of interaction between DNA and complexes, with a preferable binding to complex 4b. Based on the in vitro cytotoxicity MTT assay, the complexes exhibit significant inhibitory activity against human breast and lung cancer cells (MCF-7, A549), with lower micromolar IC50 values in comparison to that of clinical drug (cisplatin). In contrast, neither complex shows activity against the normal cell lines (Hela), suggesting that the new hybrid thiophene-β-diketo-benzazole organoruthenium(II) complexes may offer promising safe anticancer agents.

Comprehensive study on potent and selective carbonic anhydrase inhibitors: Synthesis, bioactivities and molecular modelling studies of 4-(3-(2-arylidenehydrazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-1-yl) benzenesulfonamides

Yamali, Cem,Sakagami, Hiroshi,Uesawa, Yoshihiro,Kurosaki, Kota,Satoh, Keitaro,Masuda, Yoshiko,Yokose, Satoshi,Ece, Abdulilah,Bua, Silvia,Angeli, Andrea,Supuran, Claudiu T.,Gul, Halise Inci

, (2021)

In this research, rational design, synthesis, carbonic anhydrases (CAs) inhibitory effects, and cytotoxicities of the 4-(3-(2-arylidenehydrazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-1-yl)benzenesulfonamides 1–20 were reported. Compound 18 (Ki = 7.0 nM) was approximately 127 times more selective cancer-associated hCA IX inhibitor over hCA I, while compound 17 (Ki = 10.6 nM) was 47 times more selective inhibitor of hCA XI over hCA II compared to the acetazolamide. Compounds 11 (CC50 = 5.2 μM) and 20 (CC50 = 1.6 μM) showed comparative tumor-specificity (TS= > 38.5; >128.2) with doxorubicin (TS > 43.0) towards HSC-2 cancer cell line. Western blot analysis demonstrated that 11 induced slightly apoptosis whereas 20 did not induce detectable apoptosis. A preliminary analysis showed that some correlation of tumor-specificity of 1–20 with the chemical descriptors that reflect hydrophobic volume, dipole moment, lowest hydrophilic energy, and topological structure. Molecular docking simulations were applied to the synthesized ligands to elucidate the predicted binding mode and selectivity profiles towards hCA I, hCA II, and hCA IX.

Synthesis, characterization, thermal analysis and biological study of new thiophene derivative containing o-aminobenzoic acid ligand and its mn(ii), cu(ii) and co(ii) metal complexes

Al-Hazmi, Ghaferah H.,Al-Humaidi, Jehan Y.,Altalhi, Tariq A.,Refat, Moamen S.

, p. 129 - 140 (2021/06/03)

New ligand containing 2-(2,4-dioxo-4-thiophen-2-yl-butyrylamino)-benzoic acid (HL) merged moiety was synthesized and characterized by FT-IR, elemental analyses, mass spectra and 1H-NMR spectral. In the present study, the attempts were carried to form comp

Synthesis, Characterization, Enzyme Inhibitory Activity, and Molecular Docking Analysis of a New Series of Thiophene-Based Heterocyclic Compounds

Bursal, E.,Cetin, A.,Murahari, M.,Türkan, F.

, p. 598 - 604 (2021/06/02)

Abstract: 1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide derivatives were designed and evaluated for their in vitro enzyme inhibitory activities against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and glutathione S-transferase (GST).

ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF

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Page/Page column 39, (2020/04/25)

A compound of Formula (I) or or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating hearing loss or balance disorder: Formula (I) wherein R1 and Y are as defined herein.

Synthesis, biological evaluation and in silico modelling studies of 1,3,5-trisubstituted pyrazoles carrying benzenesulfonamide as potential anticancer agents and selective cancer-associated hCA IX isoenzyme inhibitors

Yamali, Cem,Gul, Halise Inci,Ece, Abdulilah,Bua, Silvia,Angeli, Andrea,Sakagami, Hiroshi,Sahin, Ertan,Supuran, Claudiu T.

, (2019/09/10)

Inhibition of carbonic anhydrases (CAs, EC 4.2.1.1) has clinical importance for the treatment of several diseases. They participate in crucial regulatory mechanisms for balancing intracellular and extracellular pH of the cells. Among CA isoforms, selectiv

INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR PROMOTING NEUROGENESIS AND INHIBITING NERVE CELL DEATH

-

Paragraph 00268, (2018/02/27)

A method of promoting neuroprotection in a subject from axonal degeneration, neuronal cell death, and/or glia cell damage after injury, augmenting neuronal signaling underlying learning and memory, stimulating neuronal regeneration after injury, and/or treating a disease, disorder, and/or condition of the nervous system in a subject in need thereof includes administering to the subject a therapeutically effective amount of a 15-PGDH inhibitor.

The First Example of Azole-Fused Cyclic Anhydride Reacting in the Castagnoli-Cushman Way

Moreau, Ella,Dar'In, Dmitry,Krasavin, Mikhail

supporting information, p. 890 - 893 (2018/03/06)

Pyrazole-fused cyclic anhydrides have been employed for the first time as the Castagnoli-Cushman reaction partners to produce hitherto unknown 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5- a ]pyrazine-7-carboxylates in remarkably convenient and speedy fashion. At

ISOXAZOLE CARBOXAMIDE COMPOUNDS AND USES THEREOF

-

Paragraph 0133-0134, (2018/10/19)

A compound of Formula (I)) or or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating hearing loss or balance disorder: wherein R1 through R3, and L are as defined herein.

INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING FIBROSIS

-

Paragraph 00279, (2016/09/26)

A method of treating or preventing a fibrotic disease, disorder or condition includes administering to a subject in need of treatment a 15-PGDH inhibitor.

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