2-(Methoxycarbonyl)-5-nitro-1H-pyrrole

Base Information

• Chemical Name: 2-(Methoxycarbonyl)-5-nitro-1H-pyrrole
• CAS No.: 13138-73-3
• Molecular Formula: C6H6N2O4
• Molecular Weight: 170.12284
• Hs Code.: 2933990090
• Mol file: 13138-73-3.mol

Synonyms:2-(Methoxycarbonyl)-5-nitro-1H-pyrrole;Methyl 5-nitro-1H-pyrrole-2-carboxylate;1H-Pyrrole-2-carboxylic acid, 5-nitro-, Methyl ester;5-nitro-1H-Pyrrole-2-carboxylic acid methyl ester

Chemical Property of 2-(Methoxycarbonyl)-5-nitro-1H-pyrrole

Chemical Property:

• Melting Point: 193 °C
• Boiling Point: 342.2±22.0 °C(Predicted)
• PKA: 11.82±0.50(Predicted)
• PSA: 87.91000
• Density: 1.447±0.06 g/cm3(Predicted)
• LogP: 1.23270
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

methyl5-nitro-1H-pyrrole-2-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(Methoxycarbonyl)-5-nitro-1H-pyrrole

There total 6 articles about 2-(Methoxycarbonyl)-5-nitro-1H-pyrrole 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: 97.0%

2,2,2-trichloro-1-(5-nitro-1H-pyrrol-2-yl)ethan-1-one (53391-41-6) → methyl 5-nitro-1H-pyrrole-2-carboxylate (13138-73-3)

Guidance literature:

With sodium methylate; In methanol; for 2h; Heating;

DOI:10.1016/j.tetlet.2005.08.115

Reference yield: 10.0%

methyl Pyrrole-2-carboxylate (1193-62-0) → methyl 4-nitropyrrole-2-carboxylate (13138-74-4) + methyl 5-nitro-1H-pyrrole-2-carboxylate (13138-73-3)

Guidance literature:

With nitric acid; In acetic anhydride; at -15 ℃;

DOI:10.1016/j.tetlet.2005.08.115

Reference yield:

pyrrol-2-yl trichloromethyl ketone (35302-72-8) → methyl 5-nitro-1H-pyrrole-2-carboxylate (13138-73-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / HNO₃ / acetic anhydride / 4 h / -40 - 20 °C

2: 97 percent / MeONa / methanol / 2 h / Heating

With nitric acid; sodium methylate; In methanol; acetic anhydride;

DOI:10.1016/j.tetlet.2005.08.115

upstream raw materials:

methyl Pyrrole-2-carboxylate

2,2,2-trichloro-1-(5-nitro-1H-pyrrol-2-yl)ethan-1-one

pyrrol-2-yl trichloromethyl ketone

Downstream raw materials:

N-methyl-5-nitropyrrole-2-carboxylic acid methyl ester

methyl 4,6-dimethyl-7-azaindole-2-carboxylate

C₁₆H₁₄N₂O₃

methyl 5-phenyl-7-azaindole-2-carboxylate