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Propanoic acid, 3-[(2-nitrophenyl)amino]-3-oxo-, ethyl ester is a chemical compound with the formula C12H13N3O5. It is an ethyl ester derivative of propanoic acid that features a 3-oxo-3-phenylamino group. This yellow crystalline powder is sparingly soluble in water but readily soluble in organic solvents. Its unique structure and properties make it a valuable building block in organic synthesis and pharmaceutical research for the development of various pharmaceuticals and agrochemicals. However, its nitro group classifies it as a potentially hazardous compound, necessitating appropriate safety measures during handling and use.

91088-48-1

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91088-48-1 Usage

Uses

Used in Organic Synthesis:
Propanoic acid, 3-[(2-nitrophenyl)amino]-3-oxo-, ethyl ester serves as a key intermediate in organic synthesis, facilitating the creation of a wide range of chemical compounds. Its versatile structure allows for various chemical reactions, making it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Propanoic acid, 3-[(2-nitrophenyl)amino]-3-oxo-, ethyl ester is utilized as a building block for the synthesis of pharmaceuticals. Its unique structure contributes to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Development:
Propanoic acid, 3-[(2-nitrophenyl)amino]-3-oxo-, ethyl ester also plays a role in the agrochemical sector, where it is used in the synthesis of compounds with pesticidal or herbicidal properties. Its contribution to the development of effective and safe agrochemicals is significant for agricultural productivity and crop protection.
Safety Considerations:
Due to the presence of a nitro group, Propanoic acid, 3-[(2-nitrophenyl)amino]-3-oxo-, ethyl ester is classified as a potentially hazardous compound. It is crucial to implement proper safety measures, including the use of personal protective equipment, handling in well-ventilated areas, and adherence to established safety protocols to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 91088-48-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,0,8 and 8 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 91088-48:
(7*9)+(6*1)+(5*0)+(4*8)+(3*8)+(2*4)+(1*8)=141
141 % 10 = 1
So 91088-48-1 is a valid CAS Registry Number.

91088-48-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-(2-nitroanilino)-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names C-(2-Nitro-phenylcarbamoyl)-essigsaeure-aethylester

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:91088-48-1 SDS

91088-48-1Relevant academic research and scientific papers

Design, synthesis and molecular docking of substituted 3-hydrazinyl-3-oxo-propanamides as anti-tubercular agents

Naqvi, Arshi,Malasoni, Richa,Srivastava, Akansha,Pandey, Rishi Ranjan,Dwivedi, Anil Kumar

supporting information, p. 5181 - 5184 (2014/12/11)

Based on the anti-mycobacterial activity of various acid hydrazides, a series of substituted 3-hydrazinyl-3-oxo-propanamides has been designed. The target compounds have been synthesized from diethylmalonate using substituted amines and hydrazine hydrate

Ethyl malonate amides: A diketo acid offspring fragment for HIV integrase inhibition

Serafin, Katarzyna,Mazur, Pawel,Bak, Andrzej,Laine, Elodie,Tchertanov, Luba,Mouscadet, Jean-Franois,Polanski, Jaroslaw

experimental part, p. 5000 - 5005 (2011/10/04)

While searching for new HIV integrase inhibitors we discovered that some ethyl malonate amides (EMA) are active against this enzyme. Surprisingly, the main function can only very rarely be found among the reported drug candidates. We synthesised a series

Synthesis and characterization of N-acylaniline derivatives as potential chemical hybridizing agents (CHAs) for wheat (Triticum aestivum L.)

Chakraborty, Kajal,Devakumar

, p. 6800 - 6808 (2007/10/03)

Induction of male sterility by deployment of chemical hybridizing agents (CHAs) are important in heterosis breeding of self-pollinated crops like wheat, wherein the male and female organs are in the same flower. Taking a lead from the earlier work on rice, a total of 25 N-acylanilines comprising of malonanilates, acetoacetanilides, and acetanilides (including halogenated acetanilides) were synthesized and screened as CHAs on three genotypes of wheat, viz., PBW 343, HD 2046, and HD 2733 at 1500 ppm in the winter of 2001-2002. The N-acylanilines containing variations at the acyl and aromatic domain were synthesized by condensation of substituted anilines with appropriate diesters, acid chlorides, or monoesters. The test compounds with highly electronegative groups such as F/Br at the para position of the aryl ring were identified as the most potent CHAs, causing higher induction of male sterility. A variation of N-substitution at the side chain generally furnished analogues like 4′-fluoroacetoacetanilide (7) and ethyl 4′-fluoromalonanilate (1), which induced 89.12 and 84.66% male sterility, respectively, in PBW 343. Among halogenated acetanilides, the increasing number of chlorine atoms in the side chain led to an increase in the activity of 4′-fluoro (23) and 4′-bromo (24) derivatives of trichoroacetanilides, which induced >87% male sterility. Quantitative structure-activity relationship (QSAR) models indicated the positive contributions of the field effect exemplified by the Swain-Lupton constant (Fp) and negative contributions of the Swain-Lupton resonance constant (R) for the aromatic substitution. The positive influences of parachor (P) for the acyl domain have been underlined. These leads will be significant in explaining the CHA fit in the macromolecular receptor site. The CHAs appeared to act by causing an imbalance in the acid-base equilibrium in pollen mother cells resulting in dissolution of the callose wall by premature callase secretion.

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