7697-46-3

Basic information

• Product Name: 2-Benzoylpyrrole
• Synonyms: 2-Benzoylpyrroline;Phenyl(1H-pyrrol-2-yl)methanone;(1H-Pyrrole-2-yl)phenyl ketone;2-Benzoyl-1H-pyrrole;Phenyl(1H-pyrrol-2-yl) ketone;Nsc75585;Pyrrol-2-yl Phenyl Ketone;Methanone,phenyl-1H-pyrrol-2-yl-
• CAS NO: 7697-46-3
• Molecular Formula: C₁₁H₉NO
• Molecular Weight: 171.2
• Product Categories: Aromatics;Heterocycles;Miscellaneous Reagents
• Mol File: 7697-46-3.mol
• Article Data: 56

Chemical Properties

• Melting Point: 75-77°C
• Boiling Point: 305°C(lit.)
• Flash Point: 146.6 °C
• Appearance: /
• Density: 1.1242 (rough estimate)
• Vapor Pressure: 0.000808mmHg at 25°C
• Refractive Index: 1.4900 (estimate)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Very Slightly)
• PKA: 15.25±0.50(Predicted)
• CAS DataBase Reference: 2-Benzoylpyrrole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Benzoylpyrrole(7697-46-3)
• EPA Substance Registry System: 2-Benzoylpyrrole(7697-46-3)

Safety Data

• RTECS: OB6407000
• Hazardous Substances Data: 7697-46-3(Hazardous Substances Data)

Usage

Chemical Properties

Dark Brown Solid

Synthesis Reference(s)

Canadian Journal of Chemistry, 61, p. 1697, 1983 DOI: 10.1139/v83-290Tetrahedron Letters, 30, p. 2411, 1989 DOI: 10.1016/S0040-4039(01)80413-5

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

Upstream product

• 532-32-1 sodium benzoate 
• 109-97-7 pyrrole 
• 93-97-0 benzoic acid anhydride 
• 5145-65-3 N-benzoylpyrrole 
• 1468-28-6 4-benzoylmorpholine 
• 10002-30-9 S-pyridin-2-yl benzenecarbothioate 
• 201230-82-2 carbon monoxide 
• 73728-29-7 para-ditritiumbenzene 
• 98-88-4 benzoyl chloride 
• 102651-96-7 dimethoxy(phenyl)carbenium tetrafluoroborate 
• 611-74-5 N,N-dimethylbenzamide 
• 87549-05-1 1-(2-phenylsulfonylethyl)-2-benzoylpyrrole 
• 93-58-3 benzoic acid methyl ester 
• 20671-52-7 lithium pyrrolide 

Downstream Products

• 113502-51-5 1-(5-b enzoyl-1H-pyrrol-2-yl)ethan-1-one 
• 37496-06-3 2-benzoyl-1-methyl-1H-pyrrole 
• 859982-33-5 phenyl-(3,4,5-triiodo-pyrrol-2-yl)-ketone 
• 101590-67-4 2-[α-(2-diethylamino-ethoxy)-benzyl]-pyrrole 
• 13192-61-5 [1-(2-morpholin-4-yl-propyl)-pyrrol-2-yl]-phenyl-methanone 
• 87549-05-1 1-(2-phenylsulfonylethyl)-2-benzoylpyrrole 
• 79499-40-4 2-(α-Phenyl-p-methoxybenzyl)pyrrole 
• 79499-41-5 2-(α-Phenyl-3,6-dihydro-p-methoxybenzyl)pyrrole 
• 136116-84-2 triethyl (5-benzoylpyrrol-2-yl)-methanetricarboxylate 
• 129055-88-5 [1-(2-Chloromethyl-benzyl)-1H-pyrrol-2-yl]-phenyl-methanone 
• 87549-08-4 1-(2-phenylsulfinylethyl)-2-benzoylpyrrole 
• 57674-94-9 1-Phenyl-3H-pyrrolizin-3-on 
• 87954-23-2 1-<<2-(trimethylsilyl)ethoxy>methyl>-2-benzoylpyrrole 
• 147089-42-7 2-benzoyl-4-(2-phenyl-1,3-benzodithiol-2-yl)pyrrole 

Relevant articles and documents

Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission

Herein, we report the synthesis, separation and characterisation of the E- and Z-isomers of dipyrrolyldiphenylethene to study their emission behaviour in the aggregation state and solid state. The E-isomer showed pronounced aggregation induced emission (A

K2S2O8mediated synthesis of 5-Aryldipyrromethanes and meso-substituted A4-Tetraarylporphyrins

The synthesis of dipyrromethanes from pyrrole and arylglyoxylic acids in the presence of K2S2O8at 90 C is reported affording dipyrromethanes in very good yields. Unlike an excess pyrrole traditionally used in dipyrromethane synthesis, the current method uses a stoichiometric amount of pyrrole avoiding any use of Br?nsted or Lewis acid. A gram scale synthesis of 5-phenyldipyrromethane is also achieved demonstrating potential scale up of dipyrromethanes using this method feasible. Subsequently, dipyrromethanes were converted to A4tetraarylporphyrins also in the presence of K2S2O8at 90C. A direct synthesis of A4-tetraphenylporphyrin from excess pyrrole and phenylglyoxylic acid in the presence of K2S2O8 at 90C is also reported.

Rational design of fluorescent probes for targeted: In vivo nitroreductase visualization

Nitroreductase (NTR) has been recognized as a biomarker for identifying the hypoxic status of cancers. Therefore, it is of high scientific interest to design effective fluorescent probes for tracking NTR activity. However, studies on elucidation of the structure-performance relationship of fluorescent probes and those providing valuable insight into optimized probe design have rarely been reported. Three BODIPY based fluorescent probes were made by conjugation of para-, ortho-, and meta-nitrobenzene to the BODIPY core via a thiolether bond, respectively. Our study revealed that the linkage and nitro substituent position significantly influence the capability of nitroreductase detection.