17450-34-9

Basic information

• Product Name: Ethyl 1H-imidazole-1-acetate
• Synonyms: Ethyl 2-(1-IMidazolyl)acetate;Ethyl 1H-imidazole-1-acetate;1H-imidazole-1-acetiacidEtester;1H-imidazole-1-aceti acide Et ester;Imidazole-1-acetic acid ethyl ester;E90111
• CAS NO: 17450-34-9
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.17
• Product Categories: (intermediate of zoledronic acid)
• Mol File: 17450-34-9.mol
• Article Data: 31

Chemical Properties

• Melting Point: 124-125 °C
• Boiling Point: 293 °C at 760 mmHg
• Flash Point: 131 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 0.00177mmHg at 25°C
• Refractive Index: 1.524
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 6.26±0.10(Predicted)
• CAS DataBase Reference: Ethyl 1H-imidazole-1-acetate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 1H-imidazole-1-acetate(17450-34-9)
• EPA Substance Registry System: Ethyl 1H-imidazole-1-acetate(17450-34-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 17450-34-9(Hazardous Substances Data)

Usage

General Description

Ethyl 1H-imidazole-1-acetate is a chemical compound with the molecular formula C7H10N2O2. This organic compound belongs to the class of compounds known as imidazoles and can be characterized by a five-member ring structure composed of two nitrogen atoms and three carbon atoms. It is usually opaque white with a slightly smell at ambient temperatures. Its potential applications include its role as a catalyst and corrosion inhibitor. The compound's toxicity levels and environmental impacts are still being researched, underlining the importance of handling it with caution in a controlled environment.

InChI:InChI=1/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3

Upstream product

• 288-32-4 1H-imidazole 
• 105-36-2 ethyl bromoacetate 
• 105-39-5 chloroacetic acid ethyl ester 
• 18156-74-6 1-(Trimethylsilyl)imidazole 
• 5256-74-6 1,3-diethyl 2-diazopropanedioate 
• 623-73-4 diazoacetic acid ethyl ester 

Downstream Products

• 822-38-8 1,3-dithiolane-2-thione 
• 1748-15-8 1,3-dithiane-2-thione 
• 1615-14-1 1-(2-Hydroxyethyl)imidazole 
• 56563-00-9 N¹-imidazole acetyl hydrazine 
• 1415133-10-6 1,3-bis(2-acetoacetoxyethyl)imidazolium nitrate 
• 1415133-11-7 1,3-bis(2-acetoacetoxyethyl)imidazolium bis(trifluoromethylsulfonyl)imide 
• 1415133-06-0 1,3-bis(2-acetoacetoxyethyl)imidazolium bromide 
• 201290-45-1 1,3-bis(2′-hydroxyethyl)imidazolium bromide 

Relevant articles and documents

Cell Permeable Imidazole-Desferrioxamine Conjugates: Synthesis and in Vitro Evaluation

Desferrioxamine (DFO), a clinically approved iron chelator used for iron overload, is unable to chelate labile plasma iron (LPI) because of its limited cell permeability. Herein, alkyl chain modified imidazolium cations with varied hydrophobicities have been conjugated with DFO. The iron binding abilities and the antioxidant properties of the conjugates were found to be similar to DFO. The degree of cellular internalization was much higher in the octyl-imidazolium-DFO conjugate (IV) compared with DFO, and IV was able to chelate LPI in vitro. This opens up a new avenue in using N-alkyl imidazolium salts as a delivery vector for hydrophilic cell-impermeable drugs.

1,3-Bis(2′-hydroxyethyl)imidazolium ionic liquids: Correlating structure and properties with anion hydrogen bonding ability

A series of 1,3-bis(2′-hydroxyethyl)imidazolium ionic liquids is reported where 1H NMR chemical shift values and thermal stabilities (Td), as determined by thermogravimetric analysis, are correlated with the hydrogen bonding capability of various anions ([Cl-], [Br-], [CF3CO2-], [NO 2-], [MsO-], [NO3-], [TfO-], [BF4-], [NTf2-], and [PF6-]). Use of anions with the strongest hydrogen bonding capability, such as chloride [Cl-], bromide [Br-], and trifluoroacetate [CF3CO2-], led to the furthest observed downfield chemical shift values in DMSO-d6 and the poorest thermal stabilities ([CF3CO2-] -], tetrafluoroborate [BF4-], or bis(trifluoromethylsulfonyl)imide [NTf2-] anion. Optimized structures of selected ionic liquids, as determined by density functional theory calculations at the B3LYP/6-31G + (d,p) level, indicated that the anion preferred to be located above the imidazolium ring and in close proximity to the hydroxyl groups. Calculated dissociation energies (ΔE) and a comparison of key bonding distances (C2 - H, (C2)H···X, O - H, and (O)H···X) also confirmed this structural preference. Copyright

Multi-active-center ionic liquid, preparation method and method for catalytically synthesizing cyclic carbonate by using multi-active-center ionic liquid

The invention relates to a novel multi-active-center ionic liquid, the structural formula of which is shown in the specification, in the formula, n is equal to 1, 2 or 3. The invention also provides amethod for catalytically synthesizing cyclic carbonate by using the ionic liquid. The invention solves the problems of low catalyst performance, harsh reaction conditions and use of an organic solvent or a cocatalyst in the existing method for synthesizing cyclic carbonate by using CO2 and an epoxy compound, and uses a novel multi-active center ionic liquid as a catalyst to catalyze the epoxy compound and CO2 to carry out cycloaddition reaction at the pressure of 0.1-0.5 MPa and the temperature of 30-80 DEG C so as to generate cyclic carbonate. The highest yield can reach 98.5%.

Dihydro quinazolinone derivative, as well as preparation method and application thereof

The invention relates to the technical field of medicines, in particular to a new dihydro quinazolinone derivative with the following chemical structure general formula and pharmaceutically acceptablesalts thereof, (the formula is shown in the description.), A pharmacological experiment shows that the derivative or the salt provided by the invention has higher inhibitory activity on KRAS-PDE delta protein interaction, and has higher anti-tumor activity in vitro. The invention also provides a preparation method of the derivative and the pharmaceutically acceptable salts thereof, and application to preparatioin of a KRAS-PDE delta inhibitor and an anti-tumor drug.