1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl ester

Base Information

Chemical Name:1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl ester
CAS No.:61726-70-3
Molecular Formula:C15H15NO4
Molecular Weight:273.288
Hs Code.:
DSSTox Substance ID:DTXSID30487805
Wikidata:Q82330050

Synonyms:61726-70-3;1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl ester;DTXSID30487805

Suppliers and Price of 1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:273.10010796
Heavy Atom Count:20
Complexity:363

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2=C(NC=C2C(=O)OC)C(=O)OC

Technology Process of 1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl ester

There total 4 articles about 1H-Pyrrole-2,4-dicarboxylic acid, 3-(4-methylphenyl)-, dimethyl 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: 93.0%

: 39687-95-1
isocyanoacetic acid methyl ester

: 61726-70-3
dimethyl 3-(p-tolyl)-1H-pyrrole-2,4-dicarboxylate

Guidance literature:: With cesium acetate; copper(II) acetate monohydrate; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 20h; Inert atmosphere;
DOI:10.1021/acs.orglett.8b00798

Reference yield: 70.0%

: 68001-89-8
methyl (Z)-2-isocyano-3-(p-tolyl)acrylate

: 39687-95-1
isocyanoacetic acid methyl ester

: 61726-70-3
dimethyl 3-(p-tolyl)-1H-pyrrole-2,4-dicarboxylate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 40 - 50 ℃; for 3h;
DOI:10.1248/cpb.28.2384

Reference yield:

: 104-87-0
4-methyl-benzaldehyde

: 61726-70-3
dimethyl 3-(p-tolyl)-1H-pyrrole-2,4-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogenchloride / ethanol; water / 0.08 h

2: copper(II) acetate monohydrate; cesium acetate / 1-methyl-pyrrolidin-2-one / 20 h / 80 °C / Inert atmosphere

With hydrogenchloride; cesium acetate; copper(II) acetate monohydrate; In 1-methyl-pyrrolidin-2-one; ethanol; water;
DOI:10.1021/acs.orglett.8b00798