36131-46-1

Basic information

• Product Name: ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE
• Synonyms: ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE;2-(Ethoxycarbonyl)-5-nitro-1H-pyrrole
• CAS NO: 36131-46-1
• Molecular Formula: C₇H₈N₂O₄
• Molecular Weight: 184.14942
• Mol File: 36131-46-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 347.7 °C at 760 mmHg
• Flash Point: 164.1 °C
• Appearance: /
• Density: 1.374 g/cm³
• Vapor Pressure: 5.27E-05mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: 2-8°C(protect from light)
• PKA: 11.91±0.50(Predicted)
• CAS DataBase Reference: ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE(36131-46-1)
• EPA Substance Registry System: ETHYL 5-NITRO-1H-PYRROLE-2-CARBOXYLATE(36131-46-1)

Safety Data

• Hazardous Substances Data: 36131-46-1(Hazardous Substances Data)

Usage

General Description

Ethyl 5-nitro-1H-pyrrole-2-carboxylate is an organic compound with a chemical structure consisting of a pyrrole ring with a nitro group and an ethyl ester. It is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Ethyl 5-nitro-1H-pyrrole-2-carboxylate has been found to have potential biological activity, including anti-inflammatory and antibacterial effects. It is often employed in organic chemistry research and drug discovery due to its diverse reactivity and functional group compatibility. However, it should be handled with caution as it may be hazardous to human health if not properly managed.

InChI:InChI=1/C7H8N2O4/c1-2-13-7(10)5-3-4-6(8-5)9(11)12/h3-4,8H,2H2,1H3

Upstream product

• 53391-41-6 2,2,2-trichloro-1-(5-nitro-1H-pyrrol-2-yl)ethan-1-one 
• 64-17-5 ethanol 
• 35302-72-8 pyrrol-2-yl trichloromethyl ketone 
• 141-52-6 sodium ethanolate 

Downstream Products

• 1415012-41-7 pentafluorophenyl β-{5-{5-{[(tert-butoxy)carbonyl]amino}-1H-pyrrole-2-carboxamido}-1H-pyrrole-2-carboxamido}-alaninate 
• 547762-39-0 5-{[(tert-butoxy)carbonyl]amino}-1H-pyrrole-2-carboxylic acid 

Relevant articles and documents

A flexible inner amide macrocyclic molecule and its preparation method

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.

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

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.