5448-16-8

Basic information

• Product Name: 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER
• Synonyms: SPECS AG-205/25006771;3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER;3-Methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester, diethyl 3-Methyl-1H-pyrrole-2,4-dicarboxylate;1H-Pyrrole-2,4-dicarboxylic acid, 3-Methyl-, 2,4-diethyl ester;2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
• CAS NO: 5448-16-8
• Molecular Formula: C₁₁H₁₅NO₄
• Molecular Weight: 225.24
• Mol File: 5448-16-8.mol
• Article Data: 16

Chemical Properties

• Melting Point: 91 °C
• Boiling Point: 364.712 °C at 760 mmHg
• Flash Point: 174.372 °C
• Appearance: /
• Density: 1.168 g/cm³
• Vapor Pressure: 1.65E-05mmHg at 25°C
• Refractive Index: 1.516
• Storage Temp.: 2-8°C
• PKA: 13.96±0.50(Predicted)
• CAS DataBase Reference: 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER(5448-16-8)
• EPA Substance Registry System: 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER(5448-16-8)

Safety Data

• Hazardous Substances Data: 5448-16-8(Hazardous Substances Data)

Usage

General Description

3-Methyl-1H-pyrrole 2,4-dicarboxylic acid diethyl ester is a chemical compound that belongs to the class of pyrrole derivatives. It is a diethyl ester of 2,4-dicarboxypyrrle, primarily used in the field of medicinal and pharmaceutical research. This chemical is often utilized as a building block in the synthesis of novel organic compounds or pharmaceuticals. It has potential applications in drug development due to its unique structure and properties. However, it is essential to handle this chemical with care and follow proper safety protocols, as it may pose potential hazards if not used or handled correctly.

InChI:InChI=1/C11H15NO4/c1-4-15-10(13)8-6-12-9(7(8)3)11(14)16-5-2/h6,12H,4-5H2,1-3H3

Upstream product

• 4458-69-9 diethyl 5-bromo-3-methylpyrrole-2,4-dicarboxylate 
• 37789-75-6 3,5-diethoxycarbonyl-4-methylpyrrole-2-carboxylic acid 
• 75-05-8 acetonitrile 
• 328247-65-0 2-((E)-2-Ethoxycarbonyl-vinyl)-4-methyl-5-oxo-2,5-dihydro-isoxazole-3-carboxylic acid ethyl ester 
• 141-97-9 ethyl acetoacetate 
• 134653-70-6 ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate 
• 222718-74-3 C₁₄H₂₂N₂O₅ 
• 2436-79-5 diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate 
• 2999-46-4 Ethyl isocyanoacetate 
• 75-07-0 acetaldehyde 
• 4341-76-8 Ethyl 2-butynoate 
• 224315-82-6 (Z,E)-ethyl 2-(2-acetyl-2-ethoxycarbonyl-1-ethenyl)amino-3-dimethylaminopropenoate 
• 84033-51-2 (E)-2-((Z)-2-Ethoxycarbonyl-vinylamino)-but-2-enoic acid ethyl ester 
• 2199-60-2 diethyl 5-formyl-3-methylpyrrole-2,4-dicarboxylate 

Downstream Products

• 94743-11-0 diethyl 3,5<13C>-dimethylpyrrole-2,4-dicarboxylate 
• 100129-92-8 diethyl 5-chloro-3-methylpyrrole-2,4-dicarboxylate 
• 427878-69-1 1-amino-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester 
• 310435-15-5 C₈H₇N₃O₃ 
• 529508-54-1 C₇H₇N₃O 
• 529508-56-3 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine 
• 529508-57-4 5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine 
• 310435-15-5 5-methyl-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid 
• 1400934-11-3 diethyl 1-(4-chlorobenzamido)-3-methyl-1H-pyrrole-2,4-dicarboxylate 
• 1400934-04-4 diethyl 1-(4-fluorobenzamido)-3-methyl-1H-pyrrole-2,4-dicarboxylate 
• 1400934-02-2 diethyl 1-(4-nitrobenzamido)-3-methyl-1H-pyrrole-2,4-dicarboxylate 
• 427878-02-2 N-ethyl 4-((5-(methoxycarbamoyl)-2-methylphenyl)-amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide 
• 1005196-62-2 4-((5-(methoxycarbamoyl)-2-methylphenyl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid 

Relevant articles and documents

TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

The present invention relates to a tyrosine kinase inhibitor and a pharmaceutical composition comprising same. The tyrosine kinase inhibitor of the present invention has the structures as shown in the following formula (I) or (II):

Development of a practical synthesis of a functionalized pyrrolo[2,1-f][1,2,4]triazine nucleus

Functionalized pyrrolotriazine 1b is a key heterocyclic building block in the synthesis of BMS-690514, a potent anticancer agent. Described herein are our development activities that led to the efficient preparation of 1b on a large scale. The key transformations include a selective C-alkylation of an oxalacetate salt with a hydrazonyl bromide to form a 2-hydrazonoethyl-3- oxosuccinate, followed by cyclodehydration to an aminopyrrole. Subsequent deprotection and condensation with formamidine afforded the pyrrolotriazine scaffold. Further elaboration of this core provided the desired pyrrolotriazinyl amine.

Pyrrolopyridazine MEK inhibitors

The synthesis and SAR of a series of pyrrolopyridazine MEK inhibitors are reported. Optimal activity was achieved by incorporation of a 4-phenoxyaniline substituent at C4 and an acylated amine at C6.