ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE

Base Information

• Chemical Name: ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE
• CAS No.: 2199-49-7
• Molecular Formula: C8H11 N O2
• Molecular Weight: 153.181
• Hs Code.: 2933990090
• Mol file: 2199-49-7.mol

Synonyms:Pyrrole-3-carboxylicacid, 4-methyl-, ethyl ester (6CI,7CI,8CI); 3-Carboethoxy-4-methylpyrrole;4-Methyl-1H-pyrrole-3-carboxylic acid ethyl ester; 4-Methyl-3-pyrrolecarboxylicacid ethyl ester; Ethyl 4-methyl-3-pyrrolecarboxylate; NSC 35994

Chemical Property of ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 0.00216mmHg at 25°C
• Melting Point: 72-75°C
• Boiling Point: 289.7°Cat760mmHg
• PKA: 15.72±0.50(Predicted)
• Flash Point: 129°C
• PSA: 42.09000
• Density: 1.106g/cm³
• LogP: 1.49980
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Slightly Soluble (2.3 g/L) at 25°C

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-Methyl-1H-pyrrole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 4-methylpyrrole-3-carboxylate is used as pharmaceutical intermediates

Technology Process of ETHYL 4-METHYLPYRROLE-3-CARBOXYLATE

There total 17 articles about ETHYL 4-METHYLPYRROLE-3-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: 90.0%

ethyl crotonate (10544-63-5) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → ethyl 4-methylpyrrole-3-carboxylate (2199-49-7)

Guidance literature:

With sodium hydride; In diethyl ether; dimethyl sulfoxide; at 20 ℃; Inert atmosphere;

DOI:10.3390/molecules16119368

Reference yield: 80.0%

4-ethoxycarbonyl-3-methylpyrrole-2-carboxylic acid (90610-58-5) → ethyl 4-methylpyrrole-3-carboxylate (2199-49-7)

Guidance literature:

With copper; at 220 - 240 ℃; for 1h;

DOI:10.1016/0040-4020(90)80003-Z

Reference yield: 71.0%

→ ethyl 4-methylpyrrole-3-carboxylate (2199-49-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 10 - 35 ℃; for 1.5h;

upstream raw materials:

4-ethoxycarbonyl-3-methylpyrrole-2-carboxylic acid

2,5-diiodo-4-methyl-pyrrole-3-carboxylic acid ethyl ester

3-ethoxycarbonyl-4-methylpyrrole-2-carboxylic acid

[(p-methylphenyl)sulfonylmethyl]isonitrile

Downstream raw materials:

4-methyl-1H-pyrrole-3-carboxylic acid

ethyl 5-formyl-4-methyl-1H-pyrrole-3-carboxylate

methyl 4-methyl-1H-pyrrole-3-carboxylate

4-methyl-1-(4-trifluoromethylphenyl)-1H-pyrrol-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "Proton pump inhibitors". Paragraph 0219. . Retrieved 2015/11/16.
• 2、 Hu, Bing C.,Zhou, Wei Y.,Liu, Zu L.,Cai, Chao J.,Xu, Shi C.. "Efficient synthesis of an A-B-C-tricycle fragment for a structural model of tolyporphin". experimental part. p. 89 - 100. Retrieved 2010/11/18.