1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester

Base Information

Chemical Name:1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester
CAS No.:62786-72-5
Molecular Formula:C₁₃H₁₃NO₂
Molecular Weight:215.252
Hs Code.:
DSSTox Substance ID:DTXSID70473146
Nikkaji Number:J432.340H
Wikidata:Q82302332

Synonyms:62786-72-5;1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester;benzyl 4-methyl-1H-pyrrole-2-carboxylate;4-methyl-1H-pyrrole-2-carboxylic acid benzyl ester;DTXSID70473146;InChI=1/C13H13NO2/c1-10-7-12(14-8-10)13(15)16-9-11-5-3-2-4-6-11/h2-8,14H,9H2,1H

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Chemical Property of 1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:215.094628657
Heavy Atom Count:16
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CNC(=C1)C(=O)OCC2=CC=CC=C2

Technology Process of 1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl ester

There total 8 articles about 1H-Pyrrole-2-carboxylic acid, 4-methyl-, phenylmethyl 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:

: 51354-16-6
[N-formyl(O-benzyl)]glycinate

: 62786-72-5
benzyl 4-methylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / Et₃N, POCl₃ / CH₂Cl₂ / 1 h / 0 °C

2: 41 percent / DBU / tetrahydrofuran / 3 h / Ambient temperature

With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; trichlorophosphate; In tetrahydrofuran; dichloromethane;
DOI:10.1002/jhet.5570310402

Reference yield:

: 1738-76-7
glycine benzyl ester p-toluenesulfonic acid salt

: 62786-72-5
benzyl 4-methylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / Et₃N / 20 h / Heating

2: 80 percent / Et₃N, POCl₃ / CH₂Cl₂ / 1 h / 0 °C

3: 41 percent / DBU / tetrahydrofuran / 3 h / Ambient temperature

With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; trichlorophosphate; In tetrahydrofuran; dichloromethane;
DOI:10.1002/jhet.5570310402

Reference yield:

: 100-51-6,185532-71-2
benzyl alcohol

: 62786-72-5
benzyl 4-methylpyrrole-2-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / 5 h / 110 - 120 °C

2: 65 percent / Et₃N / 20 h / Heating

3: 80 percent / Et₃N, POCl₃ / CH₂Cl₂ / 1 h / 0 °C

4: 41 percent / DBU / tetrahydrofuran / 3 h / Ambient temperature

With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; trichlorophosphate; In tetrahydrofuran; dichloromethane;
DOI:10.1002/jhet.5570310402