4-AcetylaMino-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 4-AcetylaMino-1H-pyrrole-2-carboxylic acid
• CAS No.: 1416404-59-5
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.15002
• Mol file: 1416404-59-5.mol

Synonyms:4-AcetylaMino-1H-pyrrole-2-carboxylic acid;4-AcetaMido-1H-pyrrole-2-carboxylic acid

Chemical Property of 4-AcetylaMino-1H-pyrrole-2-carboxylic acid

Chemical Property:

• Boiling Point: 541.0±35.0 °C(Predicted)
• PKA: 4.44±0.10(Predicted)
• PSA: 85.68000
• Density: 1.483±0.06 g/cm3(Predicted)
• LogP: 1.32080

Purity/Quality:

97% ^*data from raw suppliers

4-Acetamido-1H-pyrrole-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-AcetylaMino-1H-pyrrole-2-carboxylic acid

There total 5 articles about 4-AcetylaMino-1H-pyrrole-2-carboxylic acid 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: 96.0%

methyl 4-acetamido-1H-pyrrole-2-carboxylate (1416404-60-8) → 4-acetamidopyrrole-2-carboxylic acid (1416404-59-5)

Guidance literature:

With sodium hydroxide; In methanol; at 0 - 20 ℃;

DOI:10.1002/anie.201201445

Reference yield:

pyrrol-2-yl trichloromethyl ketone (35302-72-8) → 4-acetamidopyrrole-2-carboxylic acid (1416404-59-5)

Guidance literature:

Multi-step reaction with 5 steps

1: nitric acid / acetic anhydride / -20 - 20 °C

2: dmap / 70 °C

3: hydrogenchloride; iron; ammonium chloride / ethanol / 70 °C

4: dmap; triethylamine / tetrahydrofuran / 4 h / -5 - 20 °C

5: sodium hydroxide / methanol / 0 - 20 °C

With hydrogenchloride; dmap; nitric acid; iron; ammonium chloride; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; acetic anhydride;

DOI:10.1002/anie.201201445

Reference yield:

methyl 4-nitropyrrole-2-carboxylate (13138-74-4) → 4-acetamidopyrrole-2-carboxylic acid (1416404-59-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; iron; ammonium chloride / ethanol / 70 °C

2: dmap; triethylamine / tetrahydrofuran / 4 h / -5 - 20 °C

3: sodium hydroxide / methanol / 0 - 20 °C

With hydrogenchloride; dmap; iron; ammonium chloride; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; ethanol;

DOI:10.1002/anie.201201445

upstream raw materials:

pyrrol-2-yl trichloromethyl ketone

methyl 4-acetamido-1H-pyrrole-2-carboxylate

methyl 4-nitropyrrole-2-carboxylate

2,2,2-trichloro-1-(4-nitro-1H-pyrrol-2-yl)ethan-1-one