129747-77-9

Basic information

• Product Name: 3-(1H-PYRROL-1-YL)BENZALDEHYDE
• Synonyms: 3-(1H-PYRROL-1-YL)BENZALDEHYDE;3-(1-PYRROLYL)BENZALDEHYDE;3-(1h-pyrrol-1-yl)benzaldehyde, 95+%;Benzaldehyde, 3-(1H-pyrrol-1-yl)-;3-(pyrrol-1-yl)benzaldehyde
• CAS NO: 129747-77-9
• Molecular Formula: C₁₁H₉NO
• Molecular Weight: 171.2
• Mol File: 129747-77-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 54 °C
• Boiling Point: 311.8 °C at 760 mmHg
• Flash Point: 142.4 °C
• Appearance: Light yellow powder
• Density: 1.06 g/cm³
• Vapor Pressure: 0.000551mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: 2-8°C
• PKA: -5.55±0.70(Predicted)
• CAS DataBase Reference: 3-(1H-PYRROL-1-YL)BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1H-PYRROL-1-YL)BENZALDEHYDE(129747-77-9)
• EPA Substance Registry System: 3-(1H-PYRROL-1-YL)BENZALDEHYDE(129747-77-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 24/25-26
• Hazardous Substances Data: 129747-77-9(Hazardous Substances Data)

Usage

General Description

3-(1H-Pyrrol-1-yl)benzaldehyde is a chemical compound with the molecular formula C11H9NO. It is a yellow crystalline solid with a distinct and strong odor. 3-(1H-PYRROL-1-YL)BENZALDEHYDE is commonly used as a reagent in various organic synthesis reactions and as a building block in the manufacturing of pharmaceuticals, agrochemicals, and other fine chemicals. It has also been studied for its potential biological activities, such as its role as an inhibitor of acetylcholinesterase, an enzyme that breaks down the neurotransmitter acetylcholine in the brain. Additionally, 3-(1H-Pyrrol-1-yl)benzaldehyde has been investigated for its potential anti-inflammatory and anticancer properties.

InChI:InChI=1/C11H9NO/c13-9-10-4-3-5-11(8-10)12-6-1-2-7-12/h1-9H

Upstream product

• 179055-25-5 3-(1H-pyrrol-1-yl)-N-methoxy-N-methylbenzamide 
• 61471-45-2 3-(1H-pyrrol-1-yl)benzoic acid 
• 131231-24-8 3-(pyridin-3-yl)benzaldehyde 

Downstream Products

• 851958-50-4 (3-ethoxy-4-methoxy-phenyl)-(3-pyrrol-1-yl-phenyl)-methanol 
• 179055-39-1 Cycloheptyl-(3-pyrrol-1-yl-benzyl)-amine 

Relevant articles and documents

Inhibitors of acyl-coA:cholesterol O-acyltransferase. 2. Identification and structure-activity relationships of a novel series of N-alkyl-N- (heteroaryl-substituted benzyl)-N'-arylureas

A series of N-alkyl-N-(heteroaryl-substituted benzyl)-N'-arylurea and related derivatives represented by 2 and 3 have been prepared and evaluated for their ability to inhibit acyl-CoA:cholesterol O-acyltransferase in vitro and to lower plasma cholesterol levels in cholesterol-fed rats in vivo. Among these novel compounds, the type 3 series was superior. A pyrazol-3-yl group on the N-benzyl group of this trisubstituted urea (i.e. 3, Ar1 = pyrazol-3- yl) was identified as a heteroaromatic ring providing a good profile of biological activity. As a result of optimization of the combination with the N-alkyl group (R) and N-aryl group (At3), compound 3aq (FR186054) was identified as a new, orally efficacious ACAT inhibitor, which exhibited potent in vitro ACAT inhibitory activity (rabbit intestinal microsomes IC50 = 99 nM) and excellent hypocholesterolemic effects in cholesterol-fed rats, irrespective of administration mode (ED50 = 0.046 mg/kg dosed via the diet, ED50 = 0.44 mg/kg administered by gavage in PEG400 vehicle). Moreover, a toxicological study revealed compound 3aq to be nontoxic to the adrenal glands of dogs when tested at a single dose of 10 mg/kg po.