189501-33-5

Basic information

• Product Name: 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE
• Synonyms: 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE;1-[4-(METHYLTHIO)PHENYL]PENTANE-1,4-DIONE;1-[4-(Methylthio)phenyl]-1,4-pentanedione
• CAS NO: 189501-33-5
• Molecular Formula: C₁₂H₁₄O₂S
• Molecular Weight: 222.3
• Product Categories: Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds
• Mol File: 189501-33-5.mol
• Article Data: 15

Chemical Properties

• Melting Point: 75-78°
• Boiling Point: 384.5±27.0 °C(Predicted)
• Appearance: /
• Density: 1.13±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE(189501-33-5)
• EPA Substance Registry System: 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE(189501-33-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 189501-33-5(Hazardous Substances Data)

Usage

Description

1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE, also known as 1-[4-(Methylthio)phenyl]-1,4-pentanedione, is an organic compound that serves as a crucial intermediate in the synthesis of various chemical compounds. It is characterized by its unique molecular structure, which features a methylsulfanylphenyl group attached to a 1,4-pentanedione backbone. 1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE plays a significant role in the pharmaceutical industry due to its ability to be transformed into a range of therapeutically relevant molecules.

Uses

Used in Pharmaceutical Industry:
1-[4-(METHYLSULFANYL)PHENYL]-1,4-PENTANEDIONE is used as an intermediate for the synthesis of a class of pyrrole derivatives with analgesic and anti-inflammatory properties. These derivatives, such as Saroglitazar (S141650), are valuable in the development of medications for the treatment of pain and inflammation.
Application Reason:
The compound's unique structure allows for the creation of pyrrole derivatives that possess potent analgesic and anti-inflammatory effects. These properties make them suitable for the development of new drugs to address various medical conditions characterized by pain and inflammation.

Upstream product

• 78-94-4 methyl vinyl ketone 
• 3446-89-7 4-(Methylthio)benzaldehyde 
• 924-41-4 1,5-hexadiene-3-ol 
• 107-02-8 acrolein 
• 1730-25-2 allylmagnesium bromide 
• 197905-69-4 2-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-oxobutanic acid methyl ester 
• 42445-46-5 2-bromo-1-(4-methylsulfanyl-phenyl)-ethanone 
• 1445-45-0 Trimethyl orthoacetate 

Downstream Products

• 494850-87-2 methanesulfonic acid 2-[2-methyl-5-(4-methylsulfanyl-phenyl)-pyrrol-1-yl]-ethyl ester 
• 494850-27-0 C₁₄H₁₇NOS 
• 189500-95-6 2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole 
• 189500-96-7 2-methyl-1-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole 
• 189500-94-5 2-methyl-5-[4-(methylsulfonyl)phenyl]-1-phenyl-1H-pyrrole 
• 853055-05-7 [5-(4-methanesulfonyl-phenyl)-2-methyl-1-(4-trifluoromethyl-phenyl)-1H-pyrrol-3-yl]-oxo-acetic acid ethyl ester 
• 853055-08-0 ethyl 2-[1-(2-methyl-5-(4-methylsulphonyl)phenyl)-4-(trifluoromethyl)phenyl-1H-pyrrol-3-yl]acetate 
• 853055-04-6 [5-(4-methanesulfonyl-phenyl)-2-methyl-1-p-tolyl-1H-pyrrol-3-yl]-oxo-acetic acid ethyl ester 
• 853055-03-5 ethyl 2-[1-phenyl-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]glyoxylate 
• 853055-07-9 ethyl 2-[1-(4-methyl)phenyl-2-methyl-5-(4-methylsulphonyl)phenyl-1H-pyrrol-3-yl]acetate 
• 853055-06-8 ethyl 2-[1-phenyl-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]acetate 
• 853055-09-1 2-[1-phenyl-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl]acetic acid 
• 189501-34-6 1-[4-(methylsulfonyl)phenyl]pentane-1,4-dione 

Relevant articles and documents

A fluorescent target-guided Paal-Knorr reaction

It has become increasingly apparent that high-diversity chemical reactions play a significant role in the discovery of bioactive small molecules. Here, we describe an expanse of this paradigm, combining a ‘target-guided synthesis’ concept with Paal-Knorr chemistry applied to the preparation of fluorescent ligands for human prostaglandin-endoperoxide synthase (COX-2).

A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES

The present invention provides pyrroles having hypolipidemic hypocholesteremic activities. The invention provides saroglitazar and its pharmaceutically acceptable salts, hydrates, solvates, polymorphs or intermediates thereof. The invention also provides a process for the preparation of saroglitazar. The invention further provides intermediates as well process for preparation thereof.

Improving the solubility of a new class of antiinflammatory pharmacodynamic hybrids, that release nitric oxide and inhibit cycloxygenase-2 isoenzyme

The development of a novel class of pharmacodynamic hybrids that inhibits COX-2 isoform is reported. These molecules display enhanced nitric oxide releasing properties due to the presence of an ionisable moiety. The in vivo analgesic/anti-inflammatory activity was maintained in relation to the parent compounds.