Methyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: Methyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
• CAS No.: 89649-50-3
• Molecular Formula: C₁₅H₁₇NO₂
• Molecular Weight: 243.305
• DSSTox Substance ID: DTXSID10520547

Synonyms:89649-50-3;Methyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate;DTXSID10520547

Chemical Property of Methyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Chemical Property:

• PSA: 42.09000
• LogP: 3.33910
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 243.125928785
• Heavy Atom Count: 18
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=C(N1)C(=O)OC)C2=CC=CC=C2)C

Technology Process of Methyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate

There total 3 articles about Methyl 5-ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylate 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:

2'-Ethyl-3'-methyl-4'-phenyl-2,3,4,5,2',3'-hexahydro-1'H-[1,2']bipyrrolyl-5'-carboxylic acid methyl ester (89649-19-4) → 5-Ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid methyl ester (89649-50-3)

Guidance literature:

With hydrogenchloride; In tetrachloromethane; at 0 ℃; Yield given;

Reference yield:

3-pyrrolidinopent-2-ene (56176-59-1) → 5-Ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid methyl ester (89649-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 25 °C

2: HCl / CCl₄ / 0 °C

With hydrogenchloride; In tetrachloromethane;

Reference yield:

methyl 3-phenyl-2H-azirine-2-carboxylate (18709-45-0) → 5-Ethyl-4-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid methyl ester (89649-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 25 °C

2: HCl / CCl₄ / 0 °C

With hydrogenchloride; In tetrachloromethane;

upstream raw materials:

2'-Ethyl-3'-methyl-4'-phenyl-2,3,4,5,2',3'-hexahydro-1'H-[1,2']bipyrrolyl-5'-carboxylic acid methyl ester

3-pyrrolidinopent-2-ene

methyl 3-phenyl-2H-azirine-2-carboxylate

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