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2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester is a chemical compound with the molecular formula C7H9N3O4. It is an ester derivative of 2-methyl-5-nitro-1H-imidazole-1-acetic acid, where an ethyl group is attached to the carboxylic acid group. 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester is known for its potential applications in pharmaceutical research, particularly as a precursor in the synthesis of various drugs. It is characterized by its yellow crystalline appearance and is soluble in organic solvents. Due to its reactivity and the presence of a nitro group, it should be handled with care, following proper safety protocols to avoid potential hazards.

1016-40-6

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1016-40-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1016-40-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,1 and 6 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1016-40:
(6*1)+(5*0)+(4*1)+(3*6)+(2*4)+(1*0)=36
36 % 10 = 6
So 1016-40-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H11N3O4/c1-3-15-8(12)5-10-6(2)9-4-7(10)11(13)14/h4H,3,5H2,1-2H3

1016-40-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate

1.2 Other means of identification

Product number -
Other names (2-methyl-5-nitro-imidazol-1-yl)-acetic acid ethyl ester

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:1016-40-6 SDS

1016-40-6Relevant academic research and scientific papers

Synthesis, molecular docking, and biological evaluation of nitroimidazole derivatives as potent urease inhibitors

Talebi, Meysam,Hamidian, Elham,Niasari-Naslaji, Fatemeh,Rahmani, Sogand,Hosseini, Faezeh Sadat,Boumi, Shahin,Montazer, Mohammad Nazari,Asadi, Mehdi,Amanlou, Massoud

, p. 1220 - 1229 (2021/04/26)

The objective of this study was to design new nitroimidazole-based derivatives as strong urease inhibitors for the treatment of H. pylori infections. New series of nitroimidazole derivatives, 4a–k, were synthesized by using TBTU as the catalyst and assaye

Design, synthesis, and antibacterial evaluation of new Schiff's base derivatives bearing nitroimidazole and pyrazole nuclei as potent E. coli FabH inhibitors

Sangani, Chetan B.,Makwana, Jigar A.,Duan, Yong-Tao,Tarpada, Umesh P.,Patel, Yogesh S.,Patel, Ketan B.,Dave, Vivek N.,Zhu, Hai-Liang

, p. 10137 - 10149 (2016/01/12)

New Schiff's base derivatives 5a-j have been synthesized by reaction between 5-aryloxypyrazole-4-carbaldehydes 3a-j and 2-(2-methyl-5-nitro-1Himidazol- 1-yl)acetohydrazide 4 in the presence of nickel (II) nitrate as a catalyst in ethanol at room temperatu

Schiff's base derivatives bearing nitroimidazole and quinoline nuclei: New class of anticancer agents and potential EGFR tyrosine kinase inhibitors

Makawana, Jigar A.,Sangani, Chetan B.,Lin, Lin,Zhu, Hai-Liang

, p. 1734 - 1736 (2014/04/17)

New Schiff's base derivatives 5a-j have been synthesized by reaction between 2-phenoxyquinoline-3-carbaldehydes 3a-j and 2-(2-methyl-5-nitro-1H- imidazol-1-yl)acetohydrazide 4 in presence of nickel(II) nitrate as a catalyst in ethanol under reflux in good

Nitroimidazolyl hydrazones are better amoebicides than their cyclized 1,3,4-oxadiazoline analogues: In vitro studies and Lipophilic efficiency analysis

Wani, Mohmmad Younus,Bhat, Abdul R.,Azam, Amir,Athar, Fareeda

, p. 190 - 199 (2013/07/27)

Two series of compounds with hydrazone derivatives (HZ1-HZl2, series 1) and oxadiazoline derivatives (OZ1-OZ12, series 2) of the 2-methyl-5-nitro-1H- imidazole scaffold were designed and synthesized. Physicochemical properties and Lipophilic efficiency (LipE) analysis predicted higher intrinsic quality of the acylhydrazone derivatives (series 1) than their corresponding oxadiazoline analogues (series 2). In vitro antiamoebic results supported the above findings and validated that the acylhydrazone derivatives (HZ1-HZl2) show better activity than the oxadiazoline derivatives (OZ1-OZ12). MTT assay, using HepG2 cell line, revealed noncytotoxic nature of the compounds. The most promising results were observed for compounds HZ5 (IC50 = 0.96 μM) and HZ9 (IC 50 = 0.81 μM) both in silico and in vitro. Analysis of the Lipophilic efficiency (LipE) of the compounds provided new insight for the design of potent and selective amoebicides.

Design, synthesis and antimicrobial activities evaluation of Schiff base derived from secnidazole derivatives as potential FabH inhibitors

Li, Yao,Zhao, Chang-Po,Ma, Hua-Ping,Zhao, Meng-Yue,Xue, Ya-Rong,Wang, Xiao-Ming,Zhu, Hai-Liang

, p. 3120 - 3126 (2013/07/05)

FabH, β-ketoacyl-acyl carrier protein (ACP) synthase III, is critically important to the initiation of fatty acid biosynthesis and is highly conserved among Gram-positive and Gram-negative bacteria. A series of novel secnidazole derivatives (1-20) were sy

Synthesis and characterization of a new bidentate ligand 5-substituted-(2-methyl-5-nitro-1-imidazomethyl)-1,3,4-oxadiazole-2-thione and its metal complexes of ag(i), cu(ii) and zn(ii)

Kazi, Shabbir A.

scheme or table, p. S127-S136 (2012/06/15)

A new ligand (2-methyl-5-nitro-1-imidazomethyl)-1,3,4-oxadiazole- 2-thione (L) and its Ag(I),Cu(II) and Zn(II) complexes were synthesized. The authenticity of the ligand and its transition metal complexes were established by elemental analyses, conductance and magnetic susceptibility measurements, as well as spectroscopic (IR, 1H NMR, electronic, mass and ESR) and thermal studies. The IR spectral studies revealed the existence thiol-thione tautamerism in the ligand molecule. The magnetic and electronic spectral studies suggest an octahedral geometry for Cu(II) and Zn(II) complexes. The ligand acts as a bidentate coordinating through the N-3 nitrogen and the exocyclic sulfur atoms of oxadiazole rings. Antimicrobial screening of the ligand and its metal complexes were determined against the bacteria Escherichia coli and Salmonella paratyphi A.

Synthesis of nitroimidazole derived oxazolidinones as antibacterial agents

Varshney, Vandana,Mishra, Nripendra N.,Shukla, Praveen K.,Sahu, Devi P.

scheme or table, p. 661 - 666 (2010/04/04)

A series of N-alkylated derivatives of nitroimidazolyl oxazolidinones 6a-i with various substituent at N-1 position of the nitroimidazole were synthesized and their in-vitro antibacterial activities were evaluated against several Gram-positive and Gram-ne

Convenient syntheses of 5-[(2-Methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3, 4-oxadiazole-2(3H)thione and N-substituted 2-amino-5-[(2-methyl-5-nitro-1H- imidazol-1-yl)methyl]-1,3,4-thiadiazoles

Mirzaei, Javad,Amini, Mohsen,Pirelahi, Hooshang,Shafiee, Abbas

, p. 921 - 925 (2008/09/21)

(Chemical Equation Presented) Oxidation of metronidazole (4) with sodium dichromate yielded the corresponding 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetic acid (5) which was esterified with 1-butanol to give butyl 2-(2-methyl-5-nitro- 1H-imidazol-1-yl)acetate (8). Reaction of the latter with hydrazine hydrate gave 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetohydrazide (9). Compound 5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione (10) could be obtained through the reaction of compound 9 with carbon disulfide in basic medium. Subsequent alkylation of compound 10 afforded alkyl 2-(5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3,4-oxadiazol-2-ylthio) acetate (11) in good yield. Reaction of hydrazide 9 with substituted isothiocynate yielded 1-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetyl]-4-aryl(or ethyl)thiosemicarbazide (12) which was cyclized in acidic media to N-substituted 2-amino-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3,4-thiadiazole (13).

Synthesis of 1,3,4-oxadiazoles carrying imidazole moiety

Frank, Priya V.,Kalluraya, Balakrishna

, p. 1456 - 1459 (2007/10/03)

A new series of 1,3,4-oxadiazoline derivatives 5a-1 have been obtained by cyclisation of various hyerazones 4 with acetic anhydride. The hydrazones 4 in turn are obtained by the reaction of appropriate carbonyl compound with 2-methyl-5-nitroimidazole-1-acethydrazide 3. The new products are characterized by spectral and analytical data. Most of the tested compounds show promising antibacterial and antifungal activity.

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