5464-11-9

Basic information

• Product Name: 2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE
• Synonyms: 2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE;2-METHYLTHIO-2-IMIDAZOLINE HYDROIODIDE;2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE, 9 9%;2-(Methylthio)imidazolinium iodide.;2-Methylthio-2-iMidazoline hydriodide, 99% 25GR;2-MethylMercapto-4,5-dihydroiMidazole Hydroiodide;2-Methylthio-2-iMidazoline Monohydroiodide;3-Methylthio-4,5-dihydroiMidazole Hydroiodide
• CAS NO: 5464-11-9
• Molecular Formula: C₄H₈N₂S*HI
• Molecular Weight: 244.1
• EINECS: 226-756-3
• Product Categories: Metal Isotopes;Sulfur & Selenium Compounds;Building Blocks;Heterocyclic Building Blocks;Imidazolines/Imidazolidines
• Mol File: 5464-11-9.mol
• Article Data: 11

Chemical Properties

• Melting Point: 144-146 °C(lit.)
• Boiling Point: 186.8°Cat760mmHg
• Flash Point: 66.7°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 0.652mmHg at 25°C
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: Methanol
• CAS DataBase Reference: 2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE(5464-11-9)
• EPA Substance Registry System: 2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE(5464-11-9)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 5464-11-9(Hazardous Substances Data)

Usage

Description

2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE is an organic compound with the chemical formula C4H9N2S+I-. It is a white solid and is primarily used as a starting material in the synthesis of various imidazoline derivatives.

Uses

Used in Pharmaceutical Industry:
2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE is used as a starting material for the synthesis of 2-amino1-(2-Imidazolin-2-yl)-2-imidazoline, which is an important compound in the development of pharmaceuticals with potential therapeutic applications.
Used in Chemical Synthesis:
2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE is used as a chemical intermediate in the synthesis of various imidazoline-based compounds, which can be further utilized in different industries, such as pharmaceuticals, agrochemicals, and materials science, for the development of new products with specific properties and applications.

InChI:InChI=1/C4H8N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H

Upstream product

• 96-45-7 N,N'-ethylenethiourea 
• 74-88-4 methyl iodide 
• 1483-58-5 ethylenethiourea 

Downstream Products

• 1396966-81-6 N-(4,5-dihydro-1H-imidazol-2-yl)-alanine 
• 80509-82-6 N-(4,5-dihydro-1H-imidazol-2-yl)-cyclohexylamine 
• 4794-82-5 N-(4-methylphenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine 
• 1848-75-5 N-phenyl-N-(4,5-dihydro-1H-imidazol-2-yl)amine 
• 24341-62-6 2-Carboxymethylamino-Δ²-imidazolin 
• 53920-80-2 (4,5-dihydro-1H-imidazol-2-yl)-methyl-phenyl-amine 
• 38941-36-5 benzyl-(4,5-dihydro-1H-imidazol-2-yl)-amine 
• 120711-66-2 6-(2-imidazolin-2-ylamino)-2H-1,4-benzoxazin-3(4H)-one hydroiodide 
• 154706-68-0 (4,5-dihydro-1H-imidazol-2-yl)(2-pyrrol-1-ylbenzyl)amine 
• 108409-21-8 10-phenyl-2,3-dihydroimidazol<1,2-a>pyrido<2,3-d>pyrimidin-5(10H)-one 
• 81440-89-3 2-<<<5-(1,1-dimethylethyl)-2-hydroxy-3-iodophenyl>methyl>amino>-4,5-dihydro-1H-imidazole 
• 121568-43-2 4,5-dihydro-1-(5-methyl-2-nitrobenzoyl)-2-(methylthio)-1H-imidazole 
• 128308-46-3 2-Methylsulfanyl-1-(3-phenyl-prop-2-ynyl)-4,5-dihydro-1H-imidazole 
• 121568-26-1 1-(5-chloro-2-nitrobenzoyl)-4,5-dihydro-2-(methylthio)-1H-imidazole 

Relevant articles and documents

Substituent dependence of imidazoline derivatives on the capture and release system of carbon dioxide

The reversible capture-release behaviors of CO2 by imidazoline derivatives bearing several 2-substituents were investigated under dry conditions containing a very small amount of water. The imidazoline having a cyclic guanidine moiety only captured CO2 quantitatively, and then the cyclic guanidine derivative gave the guanidinium bicarbonate by CO2 fixation together with a slight amount of water. In contrast, the imidazolines bearing n-butylthiol and n-pentyl groups never captured CO2 even with the addition of an equimolar amount of water. Furthermore, the binding structure between CO2 and the cyclic guanidine derivative was studied in detail by elemental analysis, FTIR-ATR, solid-state NMR, TGA, and DFT calculations in order to predict the CO2 capture-release mechanisms depending on the imidazoline structure.

Synthesis of five- and six-membered cyclic guanidines by guanylation with isothiouronium iodides and amines under mild conditions

Cyclic guanidine hydroiodides were obtained in one step by the reactions of isothiouronium iodides with an equimolar amount of various amines in tetrahydrofuran. The obtained hydroiodides were neutralized with sodium hydroxide or anionic exchange resin to afford the corresponding substituted cyclic guanidines in quantitative yields.

C-N Bond forming reactions in the synthesis of substituted 2-aminoimidazole derivatives

Carbon-nitrogen bond forming reactions oriented to the synthesis of 2-amino-imidazolidines and imidazoles have been investigated. The C-2 amination of imidazolidinones, via the corresponding 2-chlorodihydroimidazoles, led to 2-benzylaminodihydroimidazole or bis(dihydroimidazole)amino derivatives by choosing the adequate experimental conditions. On the other hand, the use of N-acyl-2-methylsulfanyldihydroimidazoles allowed carrying out the reactions with aromatic amines, such as p-anisidine. Finally, palladium catalyzed Buchwald- Hartwig amination was the method of choice for C-N coupling between 2-haloimidazoles and aromatic amines in the synthesis of the corresponding imidazoles.