Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate

Base Information

• Chemical Name: Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate
• CAS No.: 33369-46-9
• Molecular Formula: C11H15 N O4
• Molecular Weight: 225.244
• Hs Code.: 2933990090
• European Community (EC) Number: 251-477-9
• DSSTox Substance ID: DTXSID30186987
• Nikkaji Number: J308.475B
• Wikidata: Q83058478
• Mol file: 33369-46-9.mol

Synonyms:33369-46-9;Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate;EINECS 251-477-9;SCHEMBL7678717;DTXSID30186987;2-(Ethoxycarbonyl)methyl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid

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

Chemical Property:

• Vapor Pressure: 7.76E-06mmHg at 25°C
• Boiling Point: 360.8°Cat760mmHg
• Flash Point: 172°C
• PSA: 68.53000
• Density: 1.19g/cm³
• LogP: 1.13730
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 225.10010796
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-3-CARBOXY-1,4-DIMETHYL-1H-PYRROLE-2-ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(C(=CN1C)C)C(=O)O

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

There total 3 articles about Ethyl 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetate 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:

3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid (33369-45-8) → Ethyl 3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetate (33369-46-9)

Guidance literature:

Reference yield:

1,4-dimethyl-3-carbethoxy-pyrrole-2-acetic acid ethyl ester (33369-26-5) → 1,2,4-trimethyl-1H-pyrrole (931-25-9) + ethyl 1,2,4-trimethyl-1H-pyrrole-3-carboxylate (55770-78-0) + 3-(Ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetic Acid (82875-55-6) + ethyl 1,4-dimethyl-1H-pyrrole-2-acetate (33369-47-0) + Ethyl 3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetate (33369-46-9)

Guidance literature:

With sulfuric acid; In ethanol; at 60 ℃; Product distribution; var. reaction times;

DOI:10.1021/jo00171a063

Reference yield:

→ Ethyl 3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetate (33369-46-9)

Guidance literature:

entspr. Saeure (VII);

DOI:10.1021/jm00260a023

upstream raw materials:

1,4-dimethyl-3-carbethoxy-pyrrole-2-acetic acid ethyl ester

3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid

Downstream raw materials:

ethyl 1,4-dimethyl-1H-pyrrole-2-acetate