1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester
• CAS No.: 2407-87-6
• Molecular Formula: C₁₉H₂₄N₂O₄
• Molecular Weight: 344.411
• Nikkaji Number: J1.939.063B
• Mol file: 2407-87-6.mol

Synonyms:NSC609769;5-((4-Ethoxycarbonyl-3,5-dimethyl-2H-pyrrole-2-ylidene)methyl)-2,4-dimethyl-1;1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester;1H-Pyrrole-3-carboxylic acid, 5-[[4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene]methyl]-2,4-dimethyl-, ethyl ester;2407-87-6;NSC 13439;5((4-Ethoxycarbonyl-3,5-dimethyl-2H-pyrrole-2-ylidene)methyl)-2,4-dimethyl-1;2-(3,5-Dimethyl-4-ethoxycarbonyl-2H-pyrrole-2-ylidenemethyl)-3,5-dimethyl-1H-pyrrole-4-carboxylic acid ethyl ester;ethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylate;Ethyl 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Chemical Property of 1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 6.55E-11mmHg at 25°C
• Boiling Point: 519.9°Cat760mmHg
• Flash Point: 268.2°C
• Density: 1.17g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 344.17360725
• Heavy Atom Count: 25
• Complexity: 648

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=CC2=C(C(=C(N2)C)C(=O)OCC)C)N=C1C)C
• Isomeric SMILES: CCOC(=O)C1=C(/C(=C/C2=C(C(=C(N2)C)C(=O)OCC)C)/N=C1C)C

Technology Process of 1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester

There total 15 articles about 1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (86770-31-2) + orthoformic acid triethyl ester (122-51-0) → bis(2,4-dimethyl-3-carbethoxypyrrolyl)methene (2407-87-6,68041-05-4)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 1h;

DOI:10.1248/cpb.55.1439

Reference yield:

2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester (2199-51-1) → 3,3',5,5'-tetramethyl-4,4'-dicarboethoxydipyrromethene (2407-87-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

ethyl 5-bromo-2,4-dimethylpyrrole-3-carboxylate (56453-92-0) → 3,3',5,5'-tetramethyl-4,4'-dicarboethoxydipyrromethene (2407-87-6)

Guidance literature:

With diethyl ether; hydrogen bromide;

DOI:10.1021/ja01235a026

upstream raw materials:

2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

formic acid

ethyl 4-formyl-5-methyl-1H-pyrrole-2-carboxylate

chloroacetyl chloride

Downstream raw materials:

{Co(C₁₉H₂₃N₂O₄)2}

{Ni(C₁₉H₂₃N₂O₄)2}

Cadmium * 2 3.5.3'.5'-Tetramethyl-pyrromethen-(2.2')-dicarbonsaeure-(4.4')-diaethylester

{Cu(C₁₉H₂₃N₂O₄)2}

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