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

Base Information

• Chemical Name: Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate
• CAS No.: 33369-47-0
• Molecular Formula: C10H15 N O2
• Molecular Weight: 181.235
• Hs Code.: 2933990090
• European Community (EC) Number: 251-478-4
• UNII: 8EY3TU7TCM
• DSSTox Substance ID: DTXSID90186988
• Nikkaji Number: J308.476K
• Wikidata: Q83058479
• Mol file: 33369-47-0.mol

Synonyms:Ethyl 1,4-dimethyl-1H-pyrrole-2-acetate;33369-47-0;ethyl 2-(1,4-dimethylpyrrol-2-yl)acetate;ethyl 1,4-dimethylpyrrole-2-acetate;8EY3TU7TCM;EINECS 251-478-4;1H-Pyrrole-2-aceticacid, 1,4-dimethyl-, ethyl ester;UNII-8EY3TU7TCM;ethyl 2-(1,4-dimethyl-1H-pyrrol-2-yl)acetate;SCHEMBL6949726;DTXSID90186988;AKOS006328129;FT-0713084;1,4-Dimethyl-1H-pyrrole-2-acetic acid ethyl ester;1H-Pyrrole-2-acetic acid, 1,4-dimethyl-, ethyl ester

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

Chemical Property:

• Vapor Pressure: 0.0116mmHg at 25°C
• Boiling Point: 261.4°C at 760 mmHg
• Flash Point: 111.9°C
• PSA: 31.23000
• Density: 1.02g/cm³
• LogP: 1.43910
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-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=CC(=CN1C)C

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

There total 9 articles about Ethyl 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: 86.0%

1,4-dimethyl-3-carbethoxy-pyrrole-2-acetic acid ethyl ester (33369-26-5) → ethyl 1,4-dimethyl-1H-pyrrole-2-acetate (33369-47-0)

Guidance literature:

With phosphoric acid; at 80 ℃; for 1h;

DOI:10.1021/jo00205a030

Reference yield: 73.0%

Ethyl 3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetate (33369-46-9) → ethyl 1,4-dimethyl-1H-pyrrole-2-acetate (33369-47-0)

Guidance literature:

Reference yield: 51.0%

N-methyl-2-methyl-2-propen-1-amine hydrochloride + ethyl acrylate (140-88-5,9003-32-1) → ethyl 1,4-dimethyl-1H-pyrrole-2-acetate (33369-47-0)

Guidance literature:

With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; silver(I) acetate; sodium hydrogencarbonate; In acetonitrile; at 80 ℃; for 12h;

DOI:10.1021/acs.orglett.5b01811

upstream raw materials:

3-(Ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetic Acid

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

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

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

Downstream raw materials:

[5-(1-Benzyl-1H-pyrrole-2-carbonyl)-1,4-dimethyl-1H-pyrrol-2-yl]-acetic acid

ethyl 5-(4-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetate

2-chloro-1-[5-(2,4-dichlorobenzoyl)-1,2,4-trimethyl-1H-pyrrol-3-yl]-ethanone

(2,4-dichlorophenyl)(1,3,5-trimethyl-1H-pyrrol-2-yl)-methanone

Refernces

• 1、 -. "1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia". . . Retrieved 2008/06/13.
• 2、 -. "Process for producing substituted pyrroles". . . Retrieved 2008/06/13.