13669-10-8

Basic information

• Product Name: 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER
• Synonyms: ETHYL-2-THIOPHENOYL-ACETATE;ETHYL 3-OXO-3-(THIOPHEN-2-YL)PROPANOATE;ETHYL 3-OXO-3-THIOPHEN-2-YL-PROPIONATE;ETHYL 3-OXO-3-(2-THIENYL)PROPANOATE;3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER;3-OXO-3-THIOPHEN-2-YLPROPIONIC ACID ETHY;Ethyl 3-oxo-3-thien-2-ylpropanoate;2-Thiophenepropanoic acid, beta-oxo-, ethyl ester
• CAS NO: 13669-10-8
• Molecular Formula: C₉H₁₀O₃S
• Molecular Weight: 198.24
• Mol File: 13669-10-8.mol
• Article Data: 54

Chemical Properties

• Melting Point: 24 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 130°C/0.3mmHg(lit.)
• Flash Point: 129.8 °C
• Appearance: /
• Density: 1.212 g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.5400 to 1.5440
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 9.79±0.46(Predicted)
• CAS DataBase Reference: 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER(13669-10-8)
• EPA Substance Registry System: 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER(13669-10-8)

Safety Data

• Hazardous Substances Data: 13669-10-8(Hazardous Substances Data)

Usage

Description

3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER is an organic compound characterized by its molecular formula C10H12O3S. It is an ethyl ester derivative of 3-oxo-3-thiophen-2-yl-propionic acid, known for its yellow-to-brown liquid form and strong odor. This chemical is recognized as an irritant to the skin, eyes, and respiratory system, and it plays a significant role in the fields of organic synthesis and pharmaceutical research.

Uses

Used in Pharmaceutical Research and Development:
3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER is utilized as an intermediate in the production of various pharmaceuticals. Its unique chemical structure makes it a valuable component in the synthesis of new drug molecules, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Production:
In the agrochemical industry, 3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER serves as an intermediate for the synthesis of agrochemicals. Its application in this field aids in the development of new pesticides and other agricultural chemicals to improve crop protection and yield.
Used in Flavoring Agents for the Food Industry:
3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER has potential applications as a flavoring agent in the food industry. Its distinct properties may contribute to the creation of unique flavors and scents in food products, enhancing the sensory experience for consumers.

InChI:InChI=1/C9H10O3S/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5H,2,6H2,1H3

Upstream product

• 5271-67-0 2-Thiophenecarbonyl chloride 
• 141-97-9 ethyl acetoacetate 
• 1003-09-4 2-bromothiophene 
• 6148-64-7 ethyl potassium malonate 
• 82102-37-2 9-methyl-9H-fluorene-9-carbonyl chloride 
• 1003-31-2 thiophene-2-carbonitrile 
• 105-36-2 ethyl bromoacetate 
• 141-78-6 ethyl acetate 
• 527-72-0 2-thiophenylcarboxylic acid 
• 64-17-5 ethanol 
• 69931-93-7 3-oxo-3-(thiophen-2-yl)propanoic acid 
• 98-03-3 thiophene-2-carbaldehyde 
• 2033-24-1 cycl-isopropylidene malonate 
• 2810-04-0 Ethyl thiophene-2-carboxylate 

Downstream Products

• 13834-61-2 5-(thiophen-2-yl)-3H-1,2-dithiole-3-thione 
• 1383986-88-6 ethyl (Z)-3-((4-methoxyphenyl)imino)-3-(thiophen-2-yl)propanoate 
• 1321625-31-3 6-phenyl-4-propyl-3-(thiophene-2-carbonyl)-2H-pyran-2-one 
• 166180-39-8 ethyl 2-methyl-3-oxo-3-(thiophen-2-yl)propanoate 
• 68301-52-0 ethyl 2-amino-4(thiophen-2-yl)thiazole-5-carboxylate 
• 20364-68-5 (4-phenyl-2-(thiophen-2-yl)quinoline) 
• 212761-76-7 (Z)-ethyl 3-amino-3-(thiophen-2-yl)acrylate 
• 96734-81-5 5-Thiophen-2-yl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3,4-dicarboxylic acid diethyl ester 
• 77820-11-2 7-diethylamino-3-thenoylcoumarin 
• 108247-77-4 N,N'-bis-(3-oxo-3-[2]thienyl-propionyl)-benzidine 
• 108839-41-4 N,N'-bis-(3-oxo-3-[2]thienyl-propionyl)-p-phenylenediamine 
• 23058-91-5 3-oxo-N-phenyl-3-(thiophen-2-yl)propanamide 
• 23058-94-8 N-(4-chloro-phenyl)-3-oxo-3-thiophen-2-yl-propionamide 

Relevant articles and documents

Tert-BuOK-Catalyzed condensation of ethyl diazoacetate to aldehydes and palladium-catalyzed 1,2-hydrogen migration for the synthesis of β-ketoesters under solvent-free conditions

A mild and convenient method for the condensation of ethyl diazoacetate (EDA) with aldehydes catalyzed by tert-BuOK under solvent-free conditions was developed. The corresponding α-diazo-β-hydroxy esters were further converted into β-ketoesters through palladium-catalyzed 1,2-hydrogen migration under neat conditions. The two-step transformation exemplifies a simple method for the efficient and green synthesis of β-ketoesters. The Royal Society of Chemistry 2013.

Regioselective Synthesis of N2-Aryl 1,2,3-Triazoles via Electro-oxidative Coupling of Enamines and Aryldiazonium Salts

An efficient synthetic route for the construction of N2-aryl 1,2,3-triazoles is reported via sequential C-N bond formation and electro-oxidative N-N coupling under metal-free conditions. Readily accessible 2-aminoacrylates and aryldiazonium salts were used as starting materials, and the developed protocol displays excellent functional group tolerance, allowing an extensive range of substrate scope up to 91% isolated yield. Various mechanistic studies, along with the isolation of an intermediate adduct, refer to successive ionic and radical reaction sequences.

Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights

A rhodium-catalyzed denitrogenative formal (3 + 3) transannulation of 1,2,3-thiadiazoles with alk-2-enals is achieved, producing 2,3-dihydrothiopyran-4-ones in moderate to excellent yields. An inverse KIE of 0.49 is obtained, suggesting the reversibility of the oxidative addition of thioacyl Rh(i) carbenes to alk-2-enals. The late-stage structural modifications of steroid compounds are realized. Moreover, our studies show that thioacyl carbenes have different reactivities to those of α-oxo and α-imino carbenes, and highlight the importance of heteroatoms in deciding the reactivities of heterovinyl carbenes.