111031-74-4

Basic information

• Product Name: 5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one
• Synonyms: 5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one;Three ketones
• CAS NO: 111031-74-4
• Molecular Formula: C₁₄H₂₂O₃S
• Molecular Weight: 270.39
• Mol File: 111031-74-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 422.8±45.0 °C(Predicted)
• Appearance: /
• Density: 1.134±0.06 g/cm3(Predicted)
• PKA: 3.40±0.25(Predicted)
• CAS DataBase Reference: 5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one(111031-74-4)
• EPA Substance Registry System: 5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one(111031-74-4)

Safety Data

• Hazardous Substances Data: 111031-74-4(Hazardous Substances Data)

Usage

General Description

5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one is a chemical compound with a complex molecular structure. It contains a cyclohexenone ring with a side chain consisting of a 2-(ethylthio)propyl group and a 3-hydroxy-2-propionyl group. 5-[2-(Ethylthio)propyl]-3-hydroxy-2-propionyl-2-cyclohexen-1-one has potential applications in various fields, including pharmaceuticals, organic synthesis, and research. Its unique structure and functional groups make it a versatile building block for the synthesis of other complex organic molecules. Additionally, the presence of the thioether and hydroxyl groups in this compound may impart specific chemical and biological properties, making it of interest for further investigation.

Upstream product

• 81008-52-8 6-ethylthio-3-hepten-2-one 
• 364339-25-3 C₁₆H₂₄O₅S 
• 79-03-8 propionyl chloride 

Downstream Products

• 99129-21-2 clethodim 

Relevant articles and documents

Method for continuously synthesizing 5 (2 ethylthiopropyl) -2 propionyl -3 hydroxyl -2-cyclohexene -1 ketone by micro-channel reactor (by machine translation)

The invention relates to a method for continuously synthesizing 5 (2 ethylthiopropyl) -2 propionyl -3 hydroxyl -2-cyclohexene -1 ketone through a microchannel reactor, which comprises 1. The toluene solution and DMAP toluene solution were introduced into first microchannel reactors and indexed to give compound 2. Compound 2 and sodium hydroxide solution were passed into second microchannel reactors and subjected to a hydrolysis reaction to give compound 3. Compound 3 and hydrochloric acid solution are introduced into third microchannel reactors, neutralization and decarboxylation are conducted, and the reaction liquid enters a pipeline reactor for cooling and desolventizing, so that the product is obtained. Compared with the existing production process adopting the conventional reaction kettle, the heat transfer mass transfer process is uniform, no amplification effect is achieved, the side reaction can be effectively reduced, and the conversion rate of the raw materials is improved. To the method, the reaction time is greatly shortened, continuous production can be realized, the production efficiency is improved, and the production cost is reduced. (by machine translation)

Preparation method of clethodim and intermediate thereof

The invention discloses a preparation method of clethodim and an intermediate thereof. The preparation method of the intermediate comprises the step of acidifying a compound A to obtain a compound B.According to the invention, the compound B is obtained by acidifying the compound A, and reacts to obtain a compound D, and the compound D reacts to obtain clethodim, so that the reaction condition are mild, the operation is simple, the preparation process of the compounds A-D does not require separation, water washing, layering, rearrangement and other operations, the clethodim preparation process flow is simplified, the reaction time is shortened, the production efficiency is improved, the post-treatment is simple, water washing, layering and other processes are not needed, separation and purification are facilitated, the wastewater treatment burden is not increased, three wastes are reduced, the production cost is reduced, the environmental protection requirement is met, and the methodis suitable for industrial production.

Improved method for synthesizing clethodim

The invention relates to an improved method for synthesizing clethodim. The method includes the step that propanoic acid C1-C6 alkyl ester is added into any procedure in the first step of reaction of a synthetic route shown in the formula (1). The formula (1) is defined in the description.