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1-(1H-Imidazol-4-yl)-ethanone HCl, also known as Imidazolone, is an organic compound derived from the essential oil of Mirabilis Jalapa root. It is a photochemical compound with a unique chemical structure that consists of an imidazole ring attached to an ethanone group. 1-(1H-Imidazol-4-yl)-ethanone HCl exhibits various properties that make it suitable for a range of applications across different industries.

61985-25-9

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61985-25-9 Usage

Uses

Used in Pharmaceutical Industry:
1-(1H-Imidazol-4-yl)-ethanone HCl is used as an active pharmaceutical ingredient for its potential therapeutic effects. 1-(1H-Imidazol-4-yl)-ethanone HCl's unique structure allows it to interact with specific biological targets, making it a promising candidate for the development of new drugs to treat various diseases and medical conditions.
Used in Chemical Synthesis:
1-(1H-Imidazol-4-yl)-ethanone HCl serves as a key intermediate in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its versatile chemical structure enables it to be used as a building block for the creation of a wide range of molecules with diverse applications.
Used in Research and Development:
As a photochemical compound, 1-(1H-Imidazol-4-yl)-ethanone HCl is utilized in research laboratories for studying its properties, reactivity, and potential applications. Researchers can use 1-(1H-Imidazol-4-yl)-ethanone HCl to explore new reaction pathways, develop innovative synthetic methods, and gain insights into the underlying mechanisms of various chemical processes.
Used in Analytical Chemistry:
1-(1H-Imidazol-4-yl)-ethanone HCl can be employed as a reference compound or a standard in analytical chemistry for the calibration of instruments and the development of new analytical methods. Its unique chemical structure and properties make it a valuable tool for the accurate determination of various parameters in chemical analysis.
Used in Material Science:
1-(1H-Imidazol-4-yl)-ethanone HCl's photochemical properties and unique structure make it a potential candidate for the development of new materials with specific properties. It can be used in the design and synthesis of advanced materials for applications in areas such as electronics, optics, and sensors.

Check Digit Verification of cas no

The CAS Registry Mumber 61985-25-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,9,8 and 5 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 61985-25:
(7*6)+(6*1)+(5*9)+(4*8)+(3*5)+(2*2)+(1*5)=149
149 % 10 = 9
So 61985-25-9 is a valid CAS Registry Number.
InChI:InChI=1/C5H6N2O.ClH/c1-4(8)5-2-6-3-7-5;/h2-3H,1H3,(H,6,7);1H

61985-25-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(1H-imidazol-5-yl)ethanone

1.2 Other means of identification

Product number -
Other names 1-(1h-imidazol-4-yl)ethanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:61985-25-9 SDS

61985-25-9Relevant academic research and scientific papers

Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer

Belluti, Federica,Bisi, Alessandra,Caciolla, Jessica,Fimognari, Carmela,Gobbi, Silvia,Magistrato, Alessandra,Martini, Silvia,Pavlin, Matic,Rampa, Angela,Simonelli, Federica,Spinello, Angelo,Turrini, Eleonora,Zaffaroni, Nadia

supporting information, (2021/08/09)

Breast Cancer (BC) is a leading cause of death in women, currently affecting 13% of female population worldwide. First-line clinical treatments against Estrogen Receptor positive (ER+) BC rely on suppressing estrogen production, by inhibiting the aromatase (AR) enzyme, or on blocking estrogen-dependent pro-oncogenic signaling, by targeting Estrogen Receptor (ER) α with selective Modulators/Degraders (SERMs/SERDs). The development of dual acting molecules targeting AR and ERα represents a tantalizing alternative strategy to fight ER + BC, reducing the incidence of adverse effects and resistance onset that limit the effectiveness of these gold-standard therapies. Here, in silico design, synthesis, biological evaluation and an atomic-level characterization of the binding and inhibition mechanism of twelve structurally related drug-candidates enable the discovery of multiple compounds active on both AR and ERα in the sub-μM range. The best drug-candidate 3a displayed a balanced low-nanomolar IC50 towards the two targets, SERM activity and moderate selectivity towards a BC cell line. Moreover, most of the studied compounds reduced ERα levels, suggesting a potential SERD activity. This study dissects the key structural traits needed to obtain optimal dual acting drug-candidates, showing that multitarget compounds may be a viable therapeutic option to counteract ER + BC.

Iron-catalyzed domino decarboxylation-oxidation of α,β-unsaturated carboxylic acids enabled aldehyde C-H methylation

Gong, Pei-Xue,Xu, Fangning,Cheng, Lu,Gong, Xu,Zhang, Jie,Gu, Wei-Jin,Han, Wei

supporting information, p. 5905 - 5908 (2021/06/18)

A practical and general iron-catalyzed domino decarboxylation-oxidation of α,β-unsaturated carboxylic acids enabling aldehyde C-H methylation for the synthesis of methyl ketones has been developed. This mild, operationally simple method uses ambient air as the sole oxidant and tolerates sensitive functional groups for the late-stage functionalization of complex natural-product-derived and polyfunctionalized molecules.

SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS

-

Page/Page column 48, (2010/11/30)

The present invention relates to compounds of general formula (I) wherein A, B, L, R1, R2, R3a and R3b are defined as in the specification, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.

Synthesis of 4(5)-Acyl-, 1-Substituted 5-Acyl, and 1-Substituted 4-Acyl-1H-imidazoles from 4-Aminoisoxazoles

Reiter, Lawrence A.

, p. 2714 - 2726 (2007/10/02)

4-Aminoisoxazoles can be acylated with a wide variety of activated carboxylic acids.Hydrogenation of the resulting amides gives α-(acylamino)enaminones, which cyclize to 4(5)-acylimidazoles upon treatment with base.This method allows for the synthesis of acylimidazoles with a wide range of substituents at C-2.Utilization of N-substituted 4-aminoisoxazoles in the same sequence of reactions yields 1-substituted 5-acylimidazoles, a substitution pattern not otherwise easily prepared.Treatment of α-(acylamino)enaminones, derived from N-unsubstituted isoxazoles, with primary amines leads to incorporation of the amine at the β-position with concomitant expulsion of ammonia.This sequence efficiently yields 1-substituted and 1,2-disubstituted 4-acylimidazoles but does not give satisfactory yields of 5-substituted 4-acylimidazoles due to steric inhibition of the amine exchange.

A GENERAL SYNTHESIS OF 4(5)-ACYLIMIDAZOLES FROM 4-ACYLAMINOISOXAZOLES.

Reiter, Lawrence A.

, p. 3423 - 3426 (2007/10/02)

2-Substituted-4(5)-acyl, 1,2-disubstituted 4-acyl and 1,2-disubstituted-5-acylimidazoles can be specifically prepared from 4-aminoisoxazoles.

PYROLISE-ECLAIR EN PHASE GAZEUSE DU 1-ACETYLIMIDAZOLE.

Maquestiau, A.,Tommasetti, A.,Pedregal-Freire, C.,Elguero, J.,Flammang, R.

, p. 1067 - 1072 (2007/10/02)

1-acetylimidazole is isomerized into 2- and 4-acetylimidazoles and under flash-vacuum pyrolytic conditions.This has been demonstrated by a real-time analysis of the products using mass and ion kinetic energy spectrometries.

2-GUANIDINO-4-HETEROARYL-THIAZOLES

-

, (2008/06/13)

A series of 2-guanidino-4-heteroarylthiazoles, wherein the heteroaryl substituent is selected from thiazolyl, triazolyl, imidazolyl, and 2-alkyl, 2-amino and 2-carboxamido derivatives thereof, are disclosed. The novel compounds have activity as antisecretory agents and histamine H 2 antagonists and are useful for the treatment of gastric hyperacidity and peptic ulcers. Also disclosed are pharmaceutical compositions containing the novel compounds of this invention and a method of using the compounds in the treatment of gastric hyperacidity and peptic ulcers. Novel intermediates useful in the preparation of the novel antisecretory compounds are also described.

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