Methyl 2-[(2S)-piperidin-2-yl]acetate

Base Information

• Chemical Name: Methyl 2-[(2S)-piperidin-2-yl]acetate
• CAS No.: 171866-64-1
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID60456847
• Nikkaji Number: J1.745.717I
• Wikidata: Q82279429
• Mol file: 171866-64-1.mol

Synonyms:171866-64-1;Methyl 2-[(2S)-piperidin-2-yl]acetate;(S)-HOMOPIPECOLIC ACIDMETHYL ESTER;(S)-Homopipecolicacidmethylester;(S)-METHYL 2-(PIPERIDIN-2-YL)ACETATE;SCHEMBL12481120;DTXSID60456847;(S)-Methyl2-(piperidin-2-yl)acetate;(2S)-Piperidine-2-acetic acid methyl ester;EN300-1608734

Chemical Property of Methyl 2-[(2S)-piperidin-2-yl]acetate

Chemical Property:

• PSA: 38.33000
• LogP: 1.02040
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

(S)-HOMOPIPECOLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CC1CCCCN1
• Isomeric SMILES: COC(=O)C[C@@H]1CCCCN1

Technology Process of Methyl 2-[(2S)-piperidin-2-yl]acetate

There total 11 articles about Methyl 2-[(2S)-piperidin-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: 93.0%

(2S,αS)-methyl 2-(N-α-methylbenzyl)-1,2,3,6-tetrahydro-2-pyridinyl-acetate (468071-34-3) → (2S)-methoxycarbonylmethylpiperidin (171866-64-1,171730-95-3)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1055/s-2002-32580

Reference yield: 93.0%

methyl 2-{(S)-1-[(S)-phenylethyl]piperidin-2-yl}acetate (882872-73-3) → (2S)-methoxycarbonylmethylpiperidin (171866-64-1,171730-95-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 40 ℃; for 6h; under 2250.18 Torr;

DOI:10.1055/s-2006-926419

Reference yield:

(2S)-[1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-yl]acetic acid methyl ester (607388-43-2) → (2S)-methoxycarbonylmethylpiperidin (171866-64-1,171730-95-3)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; at 20 ℃; for 4h; under 760 Torr;

DOI:10.1016/S0040-4020(03)00980-3

upstream raw materials:

(2S,αS)-methyl 2-(N-α-methylbenzyl)-1,2,3,6-tetrahydro-2-pyridinyl-acetate

(2S)-[1-((S)-2-hydroxy-1-phenylethyl)piperidin-2-yl]acetic acid methyl ester

methyl 2-{(S)-1-[(S)-phenylethyl]piperidin-2-yl}acetate

piperidin-2-yl-acetic acid methyl ester

Downstream raw materials:

(S)-2-(piperidin-2-yl)ethanoic acid

(S)-2-(methoxycarbonylmethyl)piperidine-1-carboxylic acid tert-butyl ester