Piperidin-1-yl-acetic acid, methyl ester

Base Information

• Chemical Name: Piperidin-1-yl-acetic acid, methyl ester
• CAS No.: 58583-90-7
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID80423632
• Wikidata: Q82235878
• Mol file: 58583-90-7.mol

Synonyms:methyl 2-piperidin-1-ylacetate;58583-90-7;Piperidin-1-yl-acetic acid, methyl ester;1-Piperidineacetic acid, methyl ester;methyl piperidyl-acetate;methyl piperidin-1-ylacetate;SCHEMBL65325;DTXSID80423632;REGWVSTWPUXKJS-UHFFFAOYSA-N;AKOS002320223

Chemical Property of Piperidin-1-yl-acetic acid, methyl ester

Chemical Property:

• PSA: 29.54000
• LogP: 0.58320
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1CCCCC1

Technology Process of Piperidin-1-yl-acetic acid, methyl ester

There total 4 articles about Piperidin-1-yl-acetic acid, methyl ester 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: 77.0%

piperidine (110-89-4) + methyl diazoacetate (6832-16-2) → methyl 2-piperidylacetate (58583-90-7)

Guidance literature:

With tetrakis(acetato)chloridodiruthenium(II,III); In benzene; at 75 ℃; for 20.5h; regioselective reaction;

DOI:10.1134/S1070428010100039

Reference yield: 74.0%

piperidine (110-89-4) + bromoacetic acid methyl ester (96-32-2) → methyl 2-piperidylacetate (58583-90-7)

Guidance literature:

With potassium carbonate; In acetonitrile; for 12h; Reflux;

DOI:10.1016/j.tet.2012.04.015

Reference yield:

piperidine (110-89-4) + methyl chloroacetate (96-34-4) → methyl 2-piperidylacetate (58583-90-7)

Guidance literature:

With benzene;

upstream raw materials:

piperidine

methyl chloroacetate

methyl diazoacetate

bromoacetic acid methyl ester

Downstream raw materials:

phenyl-(2-piperidino-acetylamino)-acetic acid isopentyl ester

1-benzyl-1-(2-methoxy-2-oxoethyl)piperidinium bromide

1-piperidinoethanol

methyl 2-(2-methylphenyl)-2-(piperidin-1-yl)acetate

Refernces

• 1、 -. "Cyano-containing biquaternary ammonium compound as well as preparation method and application thereof". Paragraph 0128-0130; 0134-0136. . Retrieved 2021/07/10.
• 2、 -. "POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS". . . Retrieved 2010/04/23.