3-Pyrrolecarboxylicacid,5-methyl-(6CI)

Base Information

• Chemical Name: 3-Pyrrolecarboxylicacid,5-methyl-(6CI)
• CAS No.: 100047-52-7
• Molecular Formula: C₆H₇NO₂
• Molecular Weight: 125.127
• Hs Code.: 2933990090
• Mol file: 100047-52-7.mol

Synonyms:3-Pyrrolecarboxylicacid, 5-methyl- (6CI)

Chemical Property of 3-Pyrrolecarboxylicacid,5-methyl-(6CI)

Chemical Property:

• Vapor Pressure: 8.87E-05mmHg at 25°C
• Melting Point: 210℃ (decomposition)
• Refractive Index: 1.586
• Boiling Point: 326.3°Cat760mmHg
• PKA: 5.26±0.30(Predicted)
• Flash Point: 151.1°C
• PSA: 53.09000
• Density: 1.295g/cm³
• LogP: 1.02130
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-1H-pyrrole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Pyrrolecarboxylicacid,5-methyl-(6CI)

There total 4 articles about 3-Pyrrolecarboxylicacid,5-methyl-(6CI) 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: 55.0%

(E)-1,1,1-trifluoro-4-methoxy-4-methyl-2-(aminomethyl)-3-buten-2-ol (1013405-50-9) → 5-methyl-1H-pyrrole-3-carboxylic acid (100047-52-7)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2007.12.048

Reference yield:

ethyl 5-methyl-1H-pyrrole-3-carboxylate (2199-50-0) → 5-methyl-1H-pyrrole-3-carboxylic acid (100047-52-7)

Guidance literature:

With potassium hydroxide;

Reference yield:

ethyl 2-formyl-4-oxopentanoate (84290-76-6) → 5-methyl-1H-pyrrole-3-carboxylic acid (100047-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; ethanolic NH₃ / Erhitzen des Reaktionsprodukts mit Essigsaeure und 4>2CO₃

2: ethanolic KOH

With potassium hydroxide; diethyl ether; ammonia;

upstream raw materials:

ethyl 5-methyl-1H-pyrrole-3-carboxylate

ethyl 2-formyl-4-oxopentanoate

(E)-1,1,1-trifluoro-4-methoxy-4-methyl-2-(aminomethyl)-3-buten-2-ol

Downstream raw materials:

methyl 5-methyl-1H-pyrrole-3-carboxylate

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