96843-12-8

Basic information

• Product Name: 4-HYDROXY-3,5-DIMETHYL-5H-THIOPHEN-2-ONE
• CAS NO: 96843-12-8
• Molecular Formula: C₆H₈O₂S
• Molecular Weight: 144.19152
• Mol File: 96843-12-8.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 4-HYDROXY-3,5-DIMETHYL-5H-THIOPHEN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXY-3,5-DIMETHYL-5H-THIOPHEN-2-ONE(96843-12-8)
• EPA Substance Registry System: 4-HYDROXY-3,5-DIMETHYL-5H-THIOPHEN-2-ONE(96843-12-8)

Safety Data

• Hazardous Substances Data: 96843-12-8(Hazardous Substances Data)

Upstream product

• 30414-53-0 methyl propanoyl acetate 
• 95604-09-4 Methyl-γ-bromo-propyonyl propanate 
• 17422-12-7 methyl 2-methyl-3-oxopentanoate 
• 96843-10-6 2-(2-Methoxymethylsulfanyl-propionylsulfanyl)-propionic acid ethyl ester 
• 188444-07-7 S-propionylthiolactic acid 
• 96843-11-7 4-Methoxymethylsulfanyl-2-methyl-3-oxo-pentanoic acid ethyl ester 
• 95628-73-2 4-acetylsulfanyl-2-methyl-3-oxopentanoic acid methyl ester 

Relevant articles and documents

Synthesis, antimalarial evaluation and molecular docking studies of some thiolactone derivatives

In present study novel thiolactone derivatives were designed, synthesized and characterized by various analytical techniques such as IR, 1H NMR, 13C NMR, mass spectral data and elemental analysis. All synthesized compounds were evaluated for in?vitro antimalarial activity against Dd2 and 3d7 strain of P.?falciparum. All synthesized compounds were also subjected for molecular docking study with pf KASI/II enzyme to analyze their binding orientation in the active site of the enzyme. Compounds 5d, 5e, and 5i found to be most potent with IC50 in the range of 0.09–0.19?μM and 0.03–0.04?μM against the Dd2 strain and 3D7 strain respectively as well as they showed good binding affinities with the residues of the active site of pf KASI/II.

Antitubercular agents. Part 2: New thiolactomycin analogues active against Mycobacterium tuberculosis

Structurally modified analogues of naturally occurring antibiotic thiolactomycin, substituted at 4-position of the thiolactone ring have been prepared and evaluated for their antitubercular activity. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis.

Asymmetric synthesis of 5,5-disubstituted thiotetronic acids using an allyl xanthate to dithiocarbonate rearrangement: Total synthesis of (55)-thiolactomycin with revision of the absolute configuration of the natural product

An asymmetric synthesis of thiotetronic acids related to the antibiotics thiolactomycin 1 and thiotetromycin 2 has been developed in which the key step is a stereoselective [3.3]-rearrangement of an allyl xanthate to the corresponding dithiocarbonate. Thu