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Ethyl 5-nitro-1H-pyrrole-2-carboxylate is an organic compound characterized by a pyrrole ring with a nitro group and an ethyl ester. It is recognized for its potential biological activity, such as anti-inflammatory and antibacterial effects, and is widely utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its diverse reactivity and compatibility with various functional groups make it a valuable component in organic chemistry research and drug discovery. However, due to its potential hazards to human health, it requires careful handling.

36131-46-1

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36131-46-1 Usage

Uses

Used in Pharmaceutical Synthesis:
Ethyl 5-nitro-1H-pyrrole-2-carboxylate is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
In the agrochemical industry, Ethyl 5-nitro-1H-pyrrole-2-carboxylate is utilized as an intermediate in the production of agrochemicals, aiding in the creation of compounds that can protect crops from pests and diseases.
Used in Organic Chemistry Research:
Ethyl 5-nitro-1H-pyrrole-2-carboxylate is employed as a research compound in organic chemistry, where its diverse reactivity and functional group compatibility are leveraged to explore new chemical reactions and syntheses.
Used in Drug Discovery:
Due to its potential biological activity, Ethyl 5-nitro-1H-pyrrole-2-carboxylate is used in drug discovery processes to identify and develop new therapeutic agents with anti-inflammatory and antibacterial properties.

Check Digit Verification of cas no

The CAS Registry Mumber 36131-46-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,6,1,3 and 1 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 36131-46:
(7*3)+(6*6)+(5*1)+(4*3)+(3*1)+(2*4)+(1*6)=91
91 % 10 = 1
So 36131-46-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H8N2O4/c1-2-13-7(10)5-3-4-6(8-5)9(11)12/h3-4,8H,2H2,1H3

36131-46-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 5-nitro-1H-pyrrole-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 5-nitro-1H-pyrrole-2-carboxylate

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:36131-46-1 SDS

36131-46-1Relevant academic research and scientific papers

A flexible inner amide macrocyclic molecule and its preparation method

-

Paragraph 0029-0032; 0037; 0038, (2016/11/28)

The present invention discloses a flexible lactam macrocycle molecule and a preparation method thereof, wherein the structure general formula is represented by a formula I, A is one selected from pyrrolyl, 1,4-dimethylene-1,2,3-triazolyl, phenyl, pyridyl, imidazolyl and N-methyl imidazolyl, R is H or -(CH2)nR', R' is one selected from amino, C1-C6 alkyl amino, C5-C7 aryl, C5-C10 heterocyclic aryl and C6-C10 arylamino, and n is an integer of 1-3. The flexible lactam macrocycle molecule preparation method adopts the half long-chain substrate containing the alkyne-azide bifunctional group to carry out intermolecular cyclization through the clicking reaction, is different from the traditional preparation method adopting the full long-chain precursor to carry out intramolecular ring closing, and has advantages of simple synthesis method, green, high efficiency and the like. The formula I is defined in the instruction.

Convenient method for the synthesis of a flexible cyclic polyamide for selective targeting of c-myb G-quadruplex DNA

Zhang, Qiang,Cui, Xiaojie,Lin, Sen,Zhou, Jiang,Yuan, Gu

, p. 6126 - 6129 (2013/02/25)

A convenient efficient method for synthesis of a flexible cyclic polyamide (cβ, 1) was developed through cyclodimerization. Electrospray ionization mass spectrometry and nuclear magnetic resonance results showed that 1 selectively binds to the c-myb G-qua

Toward an understanding of the chemical etiology for DNA minor-groove recognition by polyamides

Marques, Michael A.,Doss, Raymond M.,Urbach, Adam R.,Dervan, Peter B.

, p. 4485 - 4517 (2007/10/03)

Crescent-shaped polyamides composed of aromatic amino acids, i.e., 1-methyl-1H-imidazole Im, 1-methyl-1H-pyrrole Py, and 3-hydroxy-1H-pyrrole Hp, bind in the minor groove of DNA as 2:1 and 1:1 ligand/DNA complexes. DNA-Sequence specificity can be attributed to shape-selective recognition and the unique corners or pairs of corners presented by each heterocycle(s) to the edges of the base pairs on the floor of the minor groove. Here we examine the relationship between heterocycle structure and DNA-sequence specificity for a family of five-membered aromatic amino acids. By means of quantitative DNase-I footprinting, the recognition behavior of polyamides containing eight different aromatic amino acids, i.e., 1-methyl-1H-pyrazole Pz, 1H-pyrrole Nh, 5-methylthiazole Nt, 4-methylthiazole Th, 3-methylthiophene Tn, thiophene Tp, 3-hydroxythiophene Ht, and furan Fr, were compared with the polyamides containing the parent-ring amino acids Py, Im, and Hp for their ability to discriminate between the four Watson - Crick base pairs in the DNA minor groove. Analysis of the data and molecular modeling showed that the geometry inherent to each heterocycle plays a significant role in the ability of polyamides to differentiate between DNA sequences. Binding appears sensitive to changes in curvature complementarity between the polyamide and DNA. The Tn/Py pair affords a modest 3-fold discrimination of T · A vs. A · T and suggests that an S-atom in the thiophene ring prefers to lie opposite T not A.

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