Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
• CAS No.: 938-75-0
• Molecular Formula: C9H13 N O2
• Molecular Weight: 167.208
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90404917
• Nikkaji Number: J813.334D
• Wikidata: Q72474618
• Mol file: 938-75-0.mol

Synonyms:Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate;938-75-0;3,4-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER;PYR-8750;1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, ethyl ester;SCHEMBL4107701;DTXSID90404917;PYR8750;AMY15363;PYR 8750;MFCD00030365;2-ethoxycarbonyl-3,4-dimethylpyrrole;AKOS016002732;AB01504;TS-02255;CS-0061545;Ethyl3,4-dimethyl-1H-pyrrole-2-carboxylate;FT-0758786;3,4-Dimethyl-5-(ethoxycarbonyl)-1H-pyrrole;ethyl-3,4-dimethyl-1H-pyrrole-2-carboxylate;O11767;Ethyl 3 pound not4-dimethyl-1H-pyrrole-2-carboxylate;1H-Pyrrole-2-carboxylicacid, 3,4-dimethyl-, ethyl ester;InChI=1/C9H13NO2/c1-4-12-9(11)8-7(3)6(2)5-10-8/h5,10H,4H2,1-3H

Chemical Property of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate

Chemical Property:

• Melting Point: 105-108℃
• Boiling Point: 340℃ (10 Torr)
• PKA: 15.84±0.50(Predicted)
• PSA: 42.09000
• Density: 1.080±0.06 g/cm3(Predicted)
• LogP: 1.80820
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3,4-dimethyl-1H-pyrrole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=CN1)C)C

Technology Process of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate

There total 24 articles about Ethyl 3,4-dimethyl-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: 100.0%

ethyl 3,4-dimethyl-5-iodopyrrole-2-carboxylate (4391-95-1) → 3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (938-75-0)

Guidance literature:

In acetonitrile; benzene; for 6h; Irradiation;

Reference yield: 88.0%

acetate de nitro-3 butanol-2 (89531-72-6) + Ethyl isocyanoacetate (2999-46-4) → 3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (938-75-0)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; ethanol; at 20 ℃; for 48h;

DOI:10.1016/j.tet.2007.08.041

Reference yield: 88.0%

ethyl 5-acetyl-3,4-dimethylpyrrole-2-carboxylate (90433-84-4) → 3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (938-75-0)

Guidance literature:

With ethylene glycol; toluene-4-sulfonic acid; In benzene; for 0.0833333h; Heating;

DOI:10.1021/jo00189a002

upstream raw materials:

5-ethoxycarbonyl-3,4-dimethylpyrrole-2-carboxylic acid

3,4-dimethyl-1H-pyrrole

phosgene

ethanol

Downstream raw materials:

3,4-dimethyl-1H-pyrrole-2-carboxylic acid

ethyl 5-bromo-3,4-dimethylpyrrole-2-carboxylate

bis-(5-ethoxycarbonyl-3,4-dimethyl-2-pyrryl)(4-dimethylaminophenyl)methane

diethyl 5-phenyl-2,3,7,8-tetramethylpyrromethane-1,9-dicarboxylate

Refernces

• 1、 -. "ANTIVIRAL 1,3-DI-OXO-INDENE COMPOUNDS". Paragraph 0299. . Retrieved 2021/10/22.
• 2、 Datta, Suchitra,Lightner, David A.. "Facile synthesis of 2,3,7,8-tetramethyl-2,2′-dipyrrin trifluoroacetate and its X-ray crystal structure". scheme or table. p. 1113 - 1117. Retrieved 2009/12/01.