5044-37-1

Basic information

• Product Name: ETHYL 4-(1H-PYRROL-1-YL)BENZOATE
• Synonyms: ETHYL 4-(1-PYRROLO)BENZOATE;ETHYL 4-(1H-PYRROL-1-YL)BENZOATE;4-PYRROL-1-YL-BENZOIC ACID ETHYL ESTER;Ethyl 4-(1-pyrrolyl)benzoate;ethyl 4-pyrrol-1-ylbenzoate
• CAS NO: 5044-37-1
• Molecular Formula: C₁₃H₁₃NO₂
• Molecular Weight: 215.25
• Mol File: 5044-37-1.mol
• Article Data: 18

Chemical Properties

• Melting Point: 74 °C
• Boiling Point: 122 °C
• Flash Point: 154.3°C
• Appearance: /
• Density: 1.08g/cm³
• Vapor Pressure: 0.000155mmHg at 25°C
• Refractive Index: 1.551
• CAS DataBase Reference: ETHYL 4-(1H-PYRROL-1-YL)BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-(1H-PYRROL-1-YL)BENZOATE(5044-37-1)
• EPA Substance Registry System: ETHYL 4-(1H-PYRROL-1-YL)BENZOATE(5044-37-1)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 5044-37-1(Hazardous Substances Data)

Usage

General Description

ETHYL 4-(1H-PYRROL-1-YL)BENZOATE, also known as ethyl 4-(1H-pyrrol-1-yl)benzoate, is a chemical compound with the molecular formula C15H13NO2. It is a synthetic ester that belongs to the class of organic compounds known as benzoic acid esters. ETHYL 4-(1H-PYRROL-1-YL)BENZOATE is commonly used in the pharmaceutical industry as a building block for the synthesis of various drugs and active pharmaceutical ingredients. It possesses a pyrrole ring which gives it unique properties and makes it suitable for use in the development of pharmaceutical compounds. ETHYL 4-(1H-PYRROL-1-YL)BENZOATE is also used as a fragrance and flavoring agent in the cosmetics and food industry. It is important to handle this chemical with caution and follow proper safety protocols due to its potential hazards.

InChI:InChI=1/C13H13NO2/c1-2-16-13(15)11-5-7-12(8-6-11)14-9-3-4-10-14/h3-10H,2H2,1H3

Upstream product

• 150-13-0 4-amino-benzoic acid 
• 22106-33-8 4-(1H-pyrrole-1-yl)benzoic acid 
• 64-17-5 ethanol 
• 109-97-7 pyrrole 
• 7335-27-5 ethyl 4-chlorobenzoate 
• 5798-75-4 Ethyl 4-bromobenzoate 
• 696-59-3 cis,trans-2,5-dimethoxytetrahydrofuran 
• 94-09-7 p-aminoethylbenzoate 
• 51934-41-9 4-iodobenzoic acid ethyl ester 

Downstream Products

• 1187212-06-1 4-(4-(pyrrol-1-yl)benzyloxy)benzaldehyde 
• 1187212-07-2 1-(4-chloromethylphenyl)-1H-pyrrole 

Relevant articles and documents

Near-infrared fluorescent compound with AIE performance as well as preparation method and application thereof

The invention relates to the technical field of organic synthesis and novel materials and particularly relates to a near-infrared fluorescent compound with AIE performance as well as a preparation method and application thereof. According to the fluoresce

Pd/Cu-catalyzed dual C-H bond carbonylation towards the synthesis of fluorazones

Pd/Cu catalyzed oxidative dual C-H bond activation/carbonylation still remains a great challenge due to the generation of by-products via C-C bond formation. Herein we developed a straightforward Pd/Cu-catalyzed oxidative dual C-H bond carbonylation process to access biologically and pharmaceutically important fluorazones from easily available N-aryl pyrroles and CO. A wide range of functional groups were well tolerated in this transformation, and O2 could be utilized as the only terminal oxidant to promote the oxidative carbonylation process.

Synthesis, characterization and antitubercular activities of novel pyrrolyl hydrazones and their Cu-complexes

Novel pyrrolyl hydrazones and their copper complexes have been synthesized and characterized using analytical and spectral techniques to show the tetrahedral geometry for Cu(II) complexes. Biological activities of hydrazones have been assessed to understand the role of metal ion on their biological activity and the effect of pyrrolyl hydrazones. In?vitro antitubercular activity against Mycobacterium tuberculosis of the metal complexes (13b and 13r) exhibited the highest antitubercular activity that are quite close to rifampicin (0.4?μg/mL), giving a MIC of 0.8?μg/mL. All other compounds showed good activity with the MIC values ranging from 1.6 to 100?μg/mL. A comparative study of inhibition values of the ligands and their complexes showed higher antimicrobial activity of the complexes than the ligands. Some compounds have a good activity against InhA and in particular, compounds 12r, 13b and 13r exhibited more than 60% binding with the enzyme even at 5?μM (exhibited good IC50 upto 2.4?μM). Most of the active molecules have a very less cytotoxicity against the human lung cancer cell-line A549. The docking and 3D-QSAR studies have been carried out to provide some insights into the mechanism of action for this class of compounds.