Dimethyl 1H-pyrrole-2,4-dicarboxylate

Base Information

• Chemical Name: Dimethyl 1H-pyrrole-2,4-dicarboxylate
• CAS No.: 2818-07-7
• Molecular Formula: C₈H₉NO₄
• Molecular Weight: 183.164
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90487801
• Nikkaji Number: J803.056A
• Wikidata: Q82330042
• Mol file: 2818-07-7.mol

Synonyms:Dimethyl 1H-pyrrole-2,4-dicarboxylate;2818-07-7;Dimethyl1H-pyrrole-2,4-dicarboxylate;pyrrole-2,4-dicarboxylic acid dimethyl ester;SCHEMBL70354;DTXSID90487801;QQPMGRCCMQUJJA-UHFFFAOYSA-N;MFCD02179576;AKOS015919579;CS-W022627;SB62064;DS-16601;Dimethyl 1H-pyrrole-2 pound not4-dicarboxylate;A913506

Chemical Property of Dimethyl 1H-pyrrole-2,4-dicarboxylate

Chemical Property:

• PSA: 68.39000
• LogP: 0.58790
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl1H-pyrrole-2,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CN1)C(=O)OC

Technology Process of Dimethyl 1H-pyrrole-2,4-dicarboxylate

There total 10 articles about Dimethyl 1H-pyrrole-2,4-dicarboxylate 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: 94.0%

methanol (67-56-1) + 5-(methoxycarbonyl)-1H-pyrrole-3-carboxylic acid (67858-48-4) → pyrrole-2,4-dicarboxylic acid dimethyl ester (2818-07-7)

Guidance literature:

With chloro-trimethyl-silane; at 20 ℃;

DOI:10.1016/j.bmcl.2006.10.096

Reference yield: 48.0%

isocyanoacetic acid methyl ester (39687-95-1) + propynoic acid methyl ester (922-67-8) → pyrrole-2,4-dicarboxylic acid dimethyl ester (2818-07-7)

Guidance literature:

With copper(I) oxide; 1,10-Phenanthroline; In 1,4-dioxane; at 100 ℃; for 2h;

Reference yield:

methyl 4-formyl-1H-pyrrole-2-carboxylate (40611-79-8) → pyrrole-2,4-dicarboxylic acid dimethyl ester (2818-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / KMnO₄ / acetone; H₂O / 20 °C

2: 94 percent / TMSCl / 20 °C

With potassium permanganate; chloro-trimethyl-silane; In water; acetone;

DOI:10.1016/j.bmcl.2006.10.096

upstream raw materials:

diazomethane

pyrrole-2,4-dicarboxylic acid

methanol

5-(methoxycarbonyl)-1H-pyrrole-3-carboxylic acid

Downstream raw materials:

1-oxo-2-[2-(4-piperidin-1-ylmethyl-phenyl)-ethyl]-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine-7-carboxylic acid

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