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Acetoacetic acid ethyl ester aniline, also known as ethyl acetoacetate aniline, is a chemical compound derived from the reaction of acetoacetic acid with aniline. It is an organic compound with the molecular formula C11H13NO2. acetoacetic acid-ethylester-anil is a colorless liquid with a density of 1.07 g/cm3 and a boiling point of 290°C. It is soluble in organic solvents such as ethanol and ether. Ethyl acetoacetate aniline is used as an intermediate in the synthesis of various pharmaceuticals, dyes, and other organic compounds. It is also employed in the preparation of certain types of resins and plastics. Due to its reactivity, it is essential to handle acetoacetic acid-ethylester-anil with care, following proper safety protocols.

587-95-1

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587-95-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 587-95-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 7 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 587-95:
(5*5)+(4*8)+(3*7)+(2*9)+(1*5)=101
101 % 10 = 1
So 587-95-1 is a valid CAS Registry Number.

587-95-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name acetoacetic acid-ethylester-anil

1.2 Other means of identification

Product number -
Other names β-Anilino-crotonsaeureaethylester

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:587-95-1 SDS

587-95-1Relevant academic research and scientific papers

Design, synthesis and anti-HIV-1 activity of modified styrylquinolines

Mahajan, Shivani,Gupta, Shiv,Jariwala, Nisha,Bhadane, Deepali,Bhutani, Late K.K.,Kulkarni, Smita,Singh, Inder Pal

, p. 937 - 944 (2018/08/17)

Background: Drug resistance and reservoirs of latent viral infection have prevented total eradication of the HIV-virus which underlines the need for continuous efforts in the discovery of new anti-HIV agents. The present study deals with the synthesis of novel compounds based on naturally occurring scaffolds and their evaluation as potential anti-HIV agents. Objective: Design and synthesis of styrylquinoline scaffold based new molecules and evaluation of their anti-HIV-1 activity. Methods: A series of forty three new styrylquinolines (SQLs) was designed and synthesized. The newly synthesized compounds were tested for anti-HIV-1 activity against HIV-1VB59 and HIV-1UG070 primary isolates in TZM-bl cell lines. Results: The most active compounds 9 and 34 (IC50 = 0.5-4.0 μM), also exhibited significant inhibition activity against HIV-1VB51 primary isolate in PBMCs (IC50 = 7.3 μM). Compounds 9 and 34 were also found to inhibit HIV-1 entry into host cells and fusion inhibitory activities. The study encourages further exploration of SQL nucleus to design anti-HIV-1 agents. Conclusion: The study encourages further exploration of SQL nucleus to design anti-HIV-1 agents.

Discovery, synthesis, and optimization of antimalarial 4(1 H)-quinolone-3-diarylethers

Nilsen, Aaron,Miley, Galen P.,Forquer, Isaac P.,Mather, Michael W.,Katneni, Kasiram,Li, Yuexin,Pou, Sovitj,Pershing, April M.,Stickles, Allison M.,Ryan, Eileen,Kelly, Jane Xu,Doggett, J. Stone,White, Karen L.,Hinrichs, David J.,Winter, Rolf W.,Charman, Susan A.,Zakharov, Lev N.,Bathurst, Ian,Burrows, Jeremy N.,Vaidya, Akhil B.,Riscoe, Michael K.

, p. 3818 - 3834 (2014/05/20)

The historical antimalarial compound endochin served as a structural lead for optimization. Endochin-like quinolones (ELQ) were prepared by a novel chemical route and assessed for in vitro activity against multidrug resistant strains of Plasmodium falciparum and against malaria infections in mice. Here we describe the pathway to discovery of a potent class of orally active antimalarial 4(1H)-quinolone-3-diarylethers. The initial prototype, ELQ-233, exhibited low nanomolar IC50 values against all tested strains including clinical isolates harboring resistance to atovaquone. ELQ-271 represented the next critical step in the iterative optimization process, as it was stable to metabolism and highly effective in vivo. Continued analoging revealed that the substitution pattern on the benzenoid ring of the quinolone core significantly influenced reactivity with the host enzyme. This finding led to the rational design of highly selective ELQs with outstanding oral efficacy against murine malaria that is superior to established antimalarials chloroquine and atovaquone.

A one pot microwave assisted synthesis of 3-acyl-2,4-dihydroxyquinoline followed by synthesis of 7-methyldibenzo[c,f][2,7]naphthyridin-6(5H)-ones via three routes

Pitchai,Uvarani,Gengan,Mohan

, p. 776 - 786 (2013/07/26)

An easy one pot microwave assisted synthesis of 3-acyl-2,4- dihydroxyquinoline from simple precursors followed by convenient synthesis of novel and potential HIV integrase inhibitors 7-methyldibenzo[c,f][2,7] naphthyridin-6(5H)-ones has been achieved through three different routes. Mild reaction conditions and good yields are obtained by applying microwave and photochemical techniques.

Highly efficient thermal cyclization reactions of alkylidene esters in continuous flow to give aromatic/heteroaromatic derivatives

Lengyel, László,Nagy, Tibor Zs.,Sipos, Gellért,Jones, Richard,Dormán, Gy?rgy,ürge, László,Darvas, Ferenc

experimental part, p. 738 - 743 (2012/03/08)

Intramolecular thermal cyclization and benzannulation reactions of the Gould-Jacobs and Conrad-Limpach types were performed in a designed continuous flow reactor system at temperatures in the range of 300-360°C and under high pressure conditions (100-160 bar) with very short residence times (0.45-4.5 min) in tetrahydrofuran as a low-boiling point solvent. Substituted heteroaromatic compounds including pyridopyrimidinones and hydroxyquinolines were synthesized in moderate to high yields. Application of the reaction conditions also allows the synthesis of naphthol and biphenyl derivatives. The procedure involves an easy work-up and the non-batchwise preparative synthesis method is suitable for automation.

Convenient and efficient microwave-assisted synthesis of a methyl derivative of the fused indoloquinoline alkaloid cryptosanguinolentine

Gengan, Robert M.,Pandian, Pitchai,Kumarsamy, Chandraprakash,Mohan, Palathurai S.

experimental part, p. 3171 - 3178 (2010/09/04)

An efficient synthesis of a methyl derivative of the indoloquinoline alkaloid cryptosanguinolentine based on microwave-assisted reactions is described. The microwave-assisted synthesis of an intermediate 4-hydroxy-2-methylquinoline yielded 86% of the desired product and other intermediates prepared yielded high % of products in shorter reaction times, under optimum conditions, as compared to traditional methods.

Photo induced synthesis of methyl derivative of cryptosanguinolentine

Pitchai,Mohan,Gengan

experimental part, p. 692 - 696 (2009/12/24)

A simpler method to synthesize methyl derivative of an alkaloid ciyprosanguinolentine is described. 4-Hydroxy-2- methylquinoline is iodized using iodine, potassium iodide and aqueous sodium hydroxide and dehydroxyhalogenated with phosphorous oxychloride. The respective anilinoquinoline is prepared and cyclized by UV irradiation. Upon selective methylation 5,6-dimethyl-5//-indolo[3,2-c]quinoline is produced which is utilized as a DNA intercalating agent.

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