(R)-Piperidin-3-YL-acetic acid ethyl ester

Base Information

• Chemical Name: (R)-Piperidin-3-YL-acetic acid ethyl ester
• CAS No.: 188883-57-0
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• European Community (EC) Number: 831-013-7
• Nikkaji Number: J3.052.234F
• Mol file: 188883-57-0.mol

Synonyms:188883-57-0;(R)-PIPERIDIN-3-YL-ACETIC ACID ETHYL ESTER;ethyl 2-[(3R)-piperidin-3-yl]acetate;ethyl (R)-2-(piperidin-3-yl)acetate;3-Piperidineacetic acid, ethyl ester, (3R)-;SCHEMBL4523217;Ethyl (R)-piperidin-3-ylacetate;RJFIWCWTENIBKC-MRVPVSSYSA-N;ethyl(R)-2-(piperidin-3-yl)acetate;(3R)-Piperidine-3-acetic acid ethyl ester;CS-0449070;(R)-ETHYL 2-(PIPERIDIN-3-YL)ACETATE;EN300-6497808

Chemical Property of (R)-Piperidin-3-YL-acetic acid ethyl ester

Chemical Property:

• PSA: 38.33000
• LogP: 1.26800
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

(R)-Piperidin-3-yl-aceticacidethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCCNC1
• Isomeric SMILES: CCOC(=O)C[C@H]1CCCNC1

Technology Process of (R)-Piperidin-3-YL-acetic acid ethyl ester

There total 6 articles about (R)-Piperidin-3-YL-acetic acid ethyl 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:

2-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]acetic acid (912940-89-7) → ethyl (3R)-piperidin-3-ylacetate (188883-57-0)

Guidance literature:

2-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]acetic acid; With hydrogenchloride; In ethanol; for 2.25h;

With sodium hydrogencarbonate; In ethyl acetate;

Reference yield:

pyridin-3-yl-acetic acid ethyl ester (39931-77-6) → ethyl (3R)-piperidin-3-ylacetate (188883-57-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetonitrile / 12 h / Reflux

2: 5%-palladium/activated carbon; hydrogen / ethanol / 8 h / 20 °C / 7500.75 Torr

3: (S)-Mandelic acid / ethyl acetate / 4 h / Reflux; Resolution of racemate

With 5%-palladium/activated carbon; (S)-Mandelic acid; hydrogen; In ethanol; ethyl acetate; acetonitrile;

DOI:10.1080/00397911.2010.536293

Reference yield:

1-benzyl-3-ethoxycarbonylmethyl-pyridinium chloride (1232140-16-7) → ethyl (3R)-piperidin-3-ylacetate (188883-57-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 5%-palladium/activated carbon; hydrogen / ethanol / 8 h / 20 °C / 7500.75 Torr

2: (S)-Mandelic acid / ethyl acetate / 4 h / Reflux; Resolution of racemate

With 5%-palladium/activated carbon; (S)-Mandelic acid; hydrogen; In ethanol; ethyl acetate;

DOI:10.1080/00397911.2010.536293

upstream raw materials:

2-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]acetic acid

pyridin-3-yl-acetic acid ethyl ester

1-benzyl-3-ethoxycarbonylmethyl-pyridinium chloride

3-(2-ethoxy-2-oxoethyl)pyridin-1-ium-1-olate

Downstream raw materials:

ethyl 2-((R)-1-((S)-2-(tert-butyldimethylsilyloxy)-2-(4-((Z)-N'-hydroxycarbamimidoyl)phenyl)ethyl)piperidin-3-yl)acetate

ethyl 2-((R)-1-((S)-2-(tert-butyldimethylsilyloxy)-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetate

2-((R)-1-((S)-2-hydroxy-2-(4-(5-(4-phenyl-5-(trifluoromethyl)thiophen-2-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidin-3-yl)acetic acid

2-((R)-1-((S)-2-(4-(5-(1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl)phenyl)-2-hydroxyethyl)piperidin-3-yl)acetic acid

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