2386-26-7

Basic information

• Product Name: 3-ACETYL-2,4-DIMETHYL-5-CARBETHOXYPYRROLE
• Synonyms: 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester;4-Acetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester;4-acetyl-3,5-dimethyl-pyrrole-2-carboxylicacidethylester;4-acetyl-3,5-dimethyl-pyrrole-2-carboxylicaciethylester;Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester;Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-acetyl-, ethyl ester;3-ACETYL-2,4-DIMETHYL-5-CARBETHOXYPYRROLE;2,4-DIMETHYL-3-ACETYL-5-CARBETHOXYPYRROLE
• CAS NO: 2386-26-7
• Molecular Formula: C₁₁H₁₅NO₃
• Molecular Weight: 209.24
• Mol File: 2386-26-7.mol
• Article Data: 12

Chemical Properties

• Melting Point: 143 °C
• Boiling Point: 348.6°C (rough estimate)
• Flash Point: 171°C
• Appearance: /
• Density: 1.1547 (rough estimate)
• Vapor Pressure: 4.89E-05mmHg at 25°C
• Refractive Index: 1.5080 (estimate)
• PKA: 14.65±0.50(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 3-ACETYL-2,4-DIMETHYL-5-CARBETHOXYPYRROLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ACETYL-2,4-DIMETHYL-5-CARBETHOXYPYRROLE(2386-26-7)
• EPA Substance Registry System: 3-ACETYL-2,4-DIMETHYL-5-CARBETHOXYPYRROLE(2386-26-7)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• RTECS: UX9370900
• HazardClass: IRRITANT
• Hazardous Substances Data: 2386-26-7(Hazardous Substances Data)

Usage

Uses

It is utilized as pharmaceutical intermediate.

InChI:InChI=1/C11H15NO3/c1-5-9(14)15-11-6(2)10(8(4)13)7(3)12-11/h12H,5H2,1-4H3

Upstream product

• 64-17-5 ethanol 
• 123-54-6 acetylacetone 
• 64-19-7 acetic acid 
• 5408-04-8 ethyl 2-hydroxyimino-3-oxobutanoate 
• 2199-44-2 3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole 
• 14369-81-4 ethyl 2,3-butadienoate 
• 141-97-9 ethyl acetoacetate 
• 107-87-9 2-Pentanone 
• 70450-66-7 2-acetyl-3-oxo-butyraldehyde 1-enol tautomer 
• 815-68-9 3-acetylpentane-2,4-dione 
• 110775-00-3 (E)-2-((Z)-1-Methyl-3-oxo-but-1-enylamino)-but-2-enoic acid ethyl ester 
• 856119-07-8 4-ethoxyacetyl-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester 
• 5408-08-2 ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate 
• 75-36-5 acetyl chloride 

Downstream Products

• 87650-54-2 2,4-dimethyl-3-acetyl-5-ethoxycarbonylpyrrole N-benzyl-N-phenylhydrazone hydrochloride 
• 2199-44-2 3,5-dimethyl-2-ethoxycarbonyl-1H-pyrrole 
• 542-59-6 2-hydroxyethyl acetate 
• 87650-52-0 3,5-Dimethyl-4-{1-[(2-nitro-phenyl)-hydrazono]-ethyl}-1H-pyrrole-2-carboxylic acid ethyl ester 
• 5430-87-5 ethyl 4-{1-[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate 
• 65613-22-1 4-(1-chloro-vinyl)-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester 
• 2386-30-3 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde 
• 1355953-59-1 3-chloro-5,7-dimethyl-6-ethyl-8-phenyl-BODIPY 
• 1355953-56-8 ClC₄H₃NCC₆H₅C₄N(CH₃)2CH₂CH₃ 
• 1400813-91-3 C₂₅H₂₃BF₂N₂O₂ 
• 1400813-90-2 C₂₆H₂₅BF₂N₂O₂ 
• 1353548-02-3 (MeO(H₃C)C₈H₃NC(C₆H₅)C₄N(CH₃)2(CH₂CH₃))BF₂ 

Relevant articles and documents

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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.

Preparation, spectral and thermal properties of Co(II), Ni(II), Cu(II), Zn(II), and Cd(II) complexes with iodosubstituted 2,2′-dipyrrolylmethene

Complexes [ML2] of cobalt(II), nickel(II), copper(II), zinc(II), and cadmium(II) with asymmetrically substituted (E)-3-ethyl-5-[(4-iodo-3,5- dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrole (HL) have been prepared and characterized for the first time. The spectral properties, stability in solutions and in the solid phase at elevated temperature of the complexes have been studied. The effects of complexing metal ion and the reaction medium on the spectral luminescent properties (absorptivity, quantum yield, fluorescence lifetime, and the radiation constant) and on thermal destruction of the [ML2] complexes have been discussed.