Phenyl 1-methyl-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: Phenyl 1-methyl-1H-pyrrole-2-carboxylate
• CAS No.: 37496-08-5
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• DSSTox Substance ID: DTXSID301276130
• Nikkaji Number: J987.819J
• Mol file: 37496-08-5.mol

Synonyms:DTXSID301276130;37496-08-5;Phenyl 1-methyl-1H-pyrrole-2-carboxylate;InChI=1/C12H11NO2/c1-13-9-5-8-11(13)12(14)15-10-6-3-2-4-7-10/h2-9H,1H

Chemical Property of Phenyl 1-methyl-1H-pyrrole-2-carboxylate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=CC=C1C(=O)OC2=CC=CC=C2

Technology Process of Phenyl 1-methyl-1H-pyrrole-2-carboxylate

There total 3 articles about Phenyl 1-methyl-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: 93.0%

1-methyl-pyrrole-2-carboxylic acid chloride (26214-68-6) + phenol (108-95-2,27073-41-2) → phenyl 1-methyl-1H-pyrrole-2-carboxylate (37496-08-5)

Guidance literature:

With triethylamine; at 50 ℃; for 3h;

DOI:10.1002/jhet.5570350409

Reference yield: 74.0%

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) + phenylboronic acid (98-80-6) → phenyl 1-methyl-1H-pyrrole-2-carboxylate (37496-08-5)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); silver carbonate; In dimethyl sulfoxide; at 120 ℃; for 2h; Sealed vial;

DOI:10.1039/c0cc04104a

Reference yield:

→ phenyl 1-methyl-1H-pyrrole-2-carboxylate (37496-08-5)

Guidance literature:

DOI:10.1016/S0022-328X(00)81357-1

upstream raw materials:

1-methyl-pyrrole-2-carboxylic acid chloride

phenol

1-Methyl-2-pyrrolecarboxylic acid

phenylboronic acid