4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 38664-16-3
• Molecular Formula: C₁₁H₁₅NO₄
• Molecular Weight: 225.244
• Mol file: 38664-16-3.mol

Synonyms:Pyrrole-3-propionicacid, 4-carboxy-5-methyl-, 4-ethyl ester (6CI);2-Methyl-3-carbethoxy-4-propionic acid pyrrole;3-(4-Ethoxycarbonyl-5-methyl-3-pyrrolyl)propanoic acid;Ethyl-3-(2-carboxyethyl)-5-methylpyrrole-4-carboxylate

Chemical Property of 4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Boiling Point: 445.3±45.0 °C(Predicted)
• PKA: 4.53±0.10(Predicted)
• PSA: 79.39000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 1.51700
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

3-(4-(Ethoxycarbonyl)-5-methyl-1H-pyrrol-3-yl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER

There total 2 articles about 4-(2-CARBOXY-ETHYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID 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: 62.0%

ALA (106-60-5) + ethyl acetoacetate (141-97-9) → 3-(4-acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid (38664-17-4) + 3-(2-carboxyethyl)-4-ethoxycarbonyl-5-methylpyrrole (38664-16-3)

Guidance literature:

With acetate buffer; In water; for 0.5h; Heating;

DOI:10.1016/S0040-4020(01)87976-X

Reference yield:

ethyl acetoacetate (141-97-9) → 3-(2-carboxyethyl)-4-ethoxycarbonyl-5-methylpyrrole (38664-16-3)

Guidance literature:

Erwaermen in gepufferter wss. Loesung vom pH 6,6;

upstream raw materials:

ALA

ethyl acetoacetate

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