methyl 2-(1H-pyrrol-2-yl)acetate

Base Information

• Chemical Name: methyl 2-(1H-pyrrol-2-yl)acetate
• CAS No.: 53912-79-1
• Molecular Formula: C₇H₉NO₂
• Molecular Weight: 139.154
• DSSTox Substance ID: DTXSID20498960
• Nikkaji Number: J511.824G
• Wikidata: Q82349341
• Mol file: 53912-79-1.mol

Synonyms:53912-79-1;methyl 2-(1H-pyrrol-2-yl)acetate;1H-Pyrrole-2-acetic acid, methyl ester;methyl 1H-pyrrol-2-ylacetate;SCHEMBL4802900;DTXSID20498960;Methyl (1H-pyrrol-2-yl)acetate;JIPKLZVKWCJYEX-UHFFFAOYSA-N;methyl2-(1H-pyrrol-2-yl)acetate;MFCD12964674;Pyrrol-2-yl-acetic acid methyl ester;AKOS006348911;AB10301;AS-44473

Chemical Property of methyl 2-(1H-pyrrol-2-yl)acetate

Chemical Property:

• PSA: 42.09000
• LogP: 0.73020
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

1H-Pyrrole-2-aceticacid,methylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=CN1

Technology Process of methyl 2-(1H-pyrrol-2-yl)acetate

There total 1 articles about methyl 2-(1H-pyrrol-2-yl)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:

→ pyrrol-2-yl-acetic acid methyl ester (53912-79-1) + (S)-3-(4-hydroxyphenyl)-2-pyrrol-1-yl-propionic acid methyl ester (116763-11-2)

Guidance literature:

Reference yield: 66.0%

pyrrol-2-yl-acetic acid methyl ester (53912-79-1) → 2-(2-hydroxyethyl)-pyrrole (22186-60-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1.16667h; Inert atmosphere; Cooling with ice;

Reference yield:

5-Bromomethyl-3-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-isoxazole (501031-36-3) + ethyl 3-(p-benzyloxyphenyl)-2-thiophenepropionate + pyrrol-2-yl-acetic acid methyl ester (53912-79-1) → 3-{3-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-isoxazol-5-yl}-2-pyrrol-1-yl-propionic acid methyl ester (501030-29-1)

Guidance literature:

Downstream raw materials:

3-{3-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-isoxazol-5-yl}-2-pyrrol-1-yl-propionic acid methyl ester

2-(2-hydroxyethyl)-pyrrole