25907-38-4

Basic information

• Product Name: Ethyl 3-oxo-4-(phenylthio)butanoate
• Synonyms: Ethyl 3-oxo-4-(phenylthio)butanoate;Ethyl 4-(phenylthio)acetoacetate
• CAS NO: 25907-38-4
• Molecular Formula: C₁₂H₁₄O₃S
• Molecular Weight: 238.3
• Mol File: 25907-38-4.mol
• Article Data: 18

Chemical Properties

• Boiling Point: 333.971 °C at 760 mmHg
• Flash Point: 153.848 °C
• Appearance: /
• Density: 1.17
• PKA: 9.87±0.46(Predicted)
• CAS DataBase Reference: Ethyl 3-oxo-4-(phenylthio)butanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 3-oxo-4-(phenylthio)butanoate(25907-38-4)
• EPA Substance Registry System: Ethyl 3-oxo-4-(phenylthio)butanoate(25907-38-4)

Safety Data

• Hazardous Substances Data: 25907-38-4(Hazardous Substances Data)

Usage

General Description

Ethyl 3-oxo-4-(phenylthio)butanoate, also known as ethyl phenylthiobutyrate, is a chemical compound with the molecular formula C12H14O3S. It is commonly used as a flavoring agent in the food and beverage industry due to its fruity and floral aroma. It is also utilized in the production of perfumes and fragrances. Additionally, this compound has potential applications in pharmaceuticals and agrochemicals. Ethyl 3-oxo-4-(phenylthio)butanoate is a colorless liquid with a pleasant fruity odor, and it is typically stored and handled in accordance with standard chemical safety protocols.

Upstream product

• 141-97-9 ethyl acetoacetate 
• 108-98-5 thiophenol 
• 7031-27-8 (phenylthio)acetic acid chloride 
• 6148-64-7 ethyl potassium malonate 
• 882-33-7 diphenyldisulfane 
• 638-07-3 ethyl (2-chloroaceto)acetate 

Downstream Products

• 64089-24-3 2,6-dimethyl-3,5-dicyano-4-(3-pyridyl)-1,4-dihydropyridine 
• 134968-73-3 5'-Cyano-6'-methyl-2'-phenylsulfanylmethyl-1',4'-dihydro-[3,4']bipyridinyl-3'-carboxylic acid ethyl ester 
• 107975-10-0 2'-Methyl-6'-phenylsulfanylmethyl-1',4'-dihydro-[3,4']bipyridinyl-3',5'-dicarboxylic acid diethyl ester 
• 134969-40-7 2-cyanoethyl 3-oxo-4-(phenylthio)butanoate 
• 1042978-67-5 6-benzyloxy-7-methoxy-2-(phenylthio)methyl-3-quinolinecarboxylic acid ethyl ester 
• 71027-69-5 2,4-Dihydroxy-6-phenylsulfanylmethyl-benzoic acid ethyl ester 
• 26065-16-7 ethyl 5-hydroxy-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate 

Relevant articles and documents

Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds

Targeting the protein-protein interaction (PPI) between nuclear factor erythroid 2-related factor 2 (Nrf2) and Kelch-like ECH-associated protein 1 (Keap1) is a potential therapeutic strategy to control diseases involving oxidative stress. Here, six classes of known small-molecule Keap1-Nrf2 PPI inhibitors were dissected into 77 fragments in a fragment-based deconstruction reconstruction (FBDR) study and tested in four orthogonal assays. This gave 17 fragment hits of which six were shown by X-ray crystallography to bind in the Keap1 Kelch binding pocket. Two hits were merged into compound 8 with a 220-380-fold stronger affinity (Ki = 16 μM) relative to the parent fragments. Systematic optimization resulted in several novel analogues with Ki values of 0.04-0.5 μM, binding modes determined by X-ray crystallography, and enhanced microsomal stability. This demonstrates how FBDR can be used to find new fragment hits, elucidate important ligand-protein interactions, and identify new potent inhibitors of the Keap1-Nrf2 PPI.

3-heterocycle substituted quinoline derivatives as well as preparation method and applications thereof

The invention relates to new quinoline derivatives shown in a general formula I and pharmaceutically acceptable salts, hydrates, solvates or prodrugs thereof, and wherein substituent R1, R2, R3 and n contain meanings shown in the specification. The invention also relates to an enhanced effect of the compounds shown in formula I for inhibiting DNA duplication of HBV, and also relates to applications of the compounds and pharmaceutically acceptable salts, hydrates, solvates or prodrugs thereof to preparation of medicaments for treating diseases due to infection of HBV, and especially relates to applications of medicaments for treating and/or preventing viral hepatitis B.

Synthesis and Anti-Hepatitis B Virus Evaluation of 7-Methoxy-3-heterocyclic quinolin-6-ols

A series of novel 7-methoxy-3-heterocyclic quinolin-6-ol derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activities and cytotoxicities in the HepG2.2.15 cell line. Five compounds, 14a, 15c, 15e, 16b, and 16f, displayed ex