1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester
• CAS No.: 1135282-93-7
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2933998090
• Mol file: 1135282-93-7.mol

Synonyms:1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester

Chemical Property:

• Boiling Point: 348.6±27.0 °C(Predicted)
• PKA: 13.53±0.50(Predicted)
• PSA: 59.16000
• Density: 1.178±0.06 g/cm3(Predicted)
• LogP: 1.39400

Purity/Quality:

98%min ^*data from raw suppliers

Methyl4-Propionyl-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl ester

There total 3 articles about 1H-Pyrrole-2-carboxylic acid, 4-(1-oxopropyl)-, Methyl 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: 95.0%

methanol (67-56-1) + 1-(5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one (111468-90-7) → methyl 4-propionyl-1H-pyrrole-2-carboxylate (1135282-93-7)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 1.16667h;

DOI:10.1021/jm900630q

Reference yield: 44.0%

1-Pentyne (627-19-0) + isocyanoacetic acid methyl ester (39687-95-1) → methyl 4-propionyl-1H-pyrrole-2-carboxylate (1135282-93-7)

Guidance literature:

With nano-copper⁽⁰⁾ stabilized on alumina; potassium tert-butylate; In dimethyl sulfoxide; at 85 ℃; for 8h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c5cc04166j

Reference yield:

→ methyl 4-propionyl-1H-pyrrole-2-carboxylate (1135282-93-7)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

methanol

1-(5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one

1-Pentyne

isocyanoacetic acid methyl ester

Downstream raw materials:

methyl 4-propionyl-1-tosyl-1H-pyrrole-2-carboxylate

Refernces

• 1、 Tiwari, Dipak Kumar,Pogula, Jaya,Sridhar,Tiwari, Dharmendra Kumar,Likhar, Pravin R.. "Nano-copper catalysed highly regioselective synthesis of 2,4-disubstituted pyrroles from terminal alkynes and isocyanides". . p. 13646 - 13649. Retrieved 2015/09/02.