79852-26-9

Basic information

• Product Name: 1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE
• Synonyms: 1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE;Nsc80376;1-(5-methyl-2-thienyl)butan-1-one(SALTDATA: FREE)
• CAS NO: 79852-26-9
• Molecular Formula: C₉H₁₂OS
• Molecular Weight: 168.26
• Mol File: 79852-26-9.mol

Chemical Properties

• Boiling Point: 267.6°C at 760 mmHg
• Flash Point: 115.6°C
• Appearance: /
• Density: 1.053g/cm³
• Vapor Pressure: 0.00809mmHg at 25°C
• Refractive Index: 1.522
• CAS DataBase Reference: 1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE(79852-26-9)
• EPA Substance Registry System: 1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE(79852-26-9)

Safety Data

• Hazardous Substances Data: 79852-26-9(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis Industry:
1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE is used as a building block for the synthesis of other organic compounds, leveraging its unique thienyl group and ketone functionality to create a range of derivative molecules for various applications.
Used in Pharmaceutical Industry:
1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE may serve as an intermediate in the development of pharmaceuticals, potentially contributing to the creation of new drugs due to its reactive sites and structural features that can be further modified in medicinal chemistry.
Used in Material Science:
In the field of material science, 1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE could be utilized in the design of novel materials, such as polymers or composites, where its thienyl group might impart specific electronic or optical properties.
Used in Agrochemical Industry:
1-(5-METHYLTHIEN-2-YL)BUTAN-1-ONE might also be employed in the agrochemical sector, potentially serving as a precursor to the development of new pesticides or other agricultural chemicals, taking advantage of its reactivity and structural attributes.

InChI:InChI=1/C9H12OS/c1-3-4-8(10)9-6-5-7(2)11-9/h5-6H,3-4H2,1-2H3

Upstream product

• 554-14-3 2-Methylthiophene 
• 106-31-0 butanoic acid anhydride 
• 141-75-3 butyryl chloride 
• 879981-00-7 1-(5-methylthiophen-2-yl)butan-1-ol 

Downstream Products

• 1918-79-2 2-methylthiophene-5-carboxylic acid 
• 79852-37-2 1-(2-Benzyl-5-methyl-2,5-dihydro-thiophen-2-yl)-butan-1-one 
• 79852-41-8 1-(2-Benzyl-5-methyl-1,1-dioxo-2,5-dihydro-1H-1λ⁶-thiophen-2-yl)-butan-1-one 
• 79852-45-2 C₁₆H₂₀O 

Relevant articles and documents

Iodine promoted α-hydroxylation of ketones

A novel method for α-hydroxylation of ketones using substoichiometric amount of iodine under metal-free conditions is described. This method has been successfully employed in synthesizing a variety of heterocyclic compounds, which are useful precursors. α-Hydroxylation of diketones and triketones are illustrated. This strategy provides a novel, efficient, mild and inexpensive method for α-hydroxylation of aryl ketones using a sub-stoichiometric amount of molecular iodine.

Synthesis and characterization of AlCl3 impregnated molybdenum oxide as heterogeneous nano-catalyst for the Friedel-Crafts acylation reaction in ambient condition

Aluminum trichloride (AlCl3) impregnated molybdenum oxide heterogeneous nano-catalyst was prepared by using simple impregnation method. The prepared heterogeneous catalyst was characterized by powder X-ray diffraction, FT-IR spectroscopy, solid-state NMR spectroscopy, SEM imaging, and EDX mapping. The catalytic activity of this protocol was evaluated as heterogeneous catalyst for the Friedel-Crafts acylation reaction at room temperature. The impregnated MoO4(AlCl2)2 catalyst showed tremendous catalytic activity in Friedel-Crafts acylation reaction under solvent-free and mild reaction condition. As a result, 84.0% yield of acyl product with 100% consumption of reactants in 18 h reaction time at room temperature was achieved. The effects of different solvents system with MoO4(AlCl2)2 catalyst in acylation reaction was also investigated. By using optimized reaction condition various acylated derivatives were prepared. In addition, the catalyst was separated by simple filtration process after the reaction and reused several times. Therefore, heterogeneous MoO4(AlCl2)2 catalyst was found environmentally benign catalyst, very convenient, high yielding, and clean method for the Friedel-Crafts acylation reaction under solvent-free and ambient reaction condition.

A new and highly efficient water-soluble copper complex for the oxidation of secondary 1-heteroaryl alcohols by tert-butyl hydroperoxide

The water-soluble copper complex generated in situ from CuCl2 and 2,2′-biquinoline-4,4′-dicarboxylic acid dipotassium salt (BQC), has been revealed as a highly efficient and selective catalyst for the oxidation of secondary 1-heteroaryl alcohols to the corresponding heteroaromatic ketones with aqueous tert-butyl hydroperoxide, under mild conditions. The catalytic system is compatible with different heterocycles such as pyridines, pyrroles, indoles, thiophens, furans, thiazoles, and imidazoles.