Ethyl 2-(piperidin-3-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(piperidin-3-yl)acetate
• CAS No.: 64995-88-6
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.239
• Hs Code.: 2933399090
• European Community (EC) Number: 639-318-5
• DSSTox Substance ID: DTXSID80983549
• Mol file: 64995-88-6.mol

Synonyms:64995-88-6;ethyl 2-(piperidin-3-yl)acetate;2-(Piperidin-3-yl)-acetic acid ethyl ester;Ethyl 2-(3-piperidyl)acetate;ethyl piperidin-3-ylacetate;2-(Piperidin-3-yl)acetic acid ethyl ester;81290-45-1;Ethyl 2-(3-piperidinyl)acetate;ethyl 2-piperidin-3-ylacetate;piperidin-3-yl-acetic acid ethyl ester;ethyl 3-piperidinylacetate;MFCD03412125;Ethyl (piperidin-3-yl)acetate;Ethyl2-(3-Piperidyl)acetate;3-ethoxycarbonylmethylpiperidin;SCHEMBL567871;AMY9140;DTXSID80983549;RJFIWCWTENIBKC-UHFFFAOYSA-N;STK502785;Piperidin-3-ylacetic acid ethyl ester;AKOS002659291;AB64884;AB64885;CS-W003052;PS-3246;SB11768;SY004036;2-(Piperidin-3-yl)-acetic acid ethylester;BB 0240504;FT-0648205;FT-0657495;FT-0773220;EN300-241997;Racemic piperidin-3-yl-acetic acid ethyl ester;A834935;J-506549

Chemical Property of Ethyl 2-(piperidin-3-yl)acetate

Chemical Property:

• Vapor Pressure: 0.0577mmHg at 25°C
• Melting Point: 90 °C(Solv: hexane (110-54-3); benzene (71-43-2)(4:1))
• Refractive Index: 1.442
• Boiling Point: 232.8 °C at 760 mmHg
• PKA: 10.03±0.10(Predicted)
• Flash Point: 94.6 °C
• PSA: 38.33000
• Density: 0.969 g/cm³
• LogP: 1.26800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

98%min ^*data from raw suppliers

Ethyl2-(Piperidin-3-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1CCCNC1

Technology Process of Ethyl 2-(piperidin-3-yl)acetate

There total 7 articles about Ethyl 2-(piperidin-3-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: 98.0%

pyridin-3-yl-acetic acid ethyl ester (39931-77-6) → ethyl 2-(piperidin-3-yl)acetate (64995-88-6,81290-45-1)

Guidance literature:

With platinum(IV) oxide; hydrogen; In acetic acid; at 80 ℃; for 0.666667h; under 6205.94 Torr; Microwave irradiation;

DOI:10.1055/s-2008-1072717

Reference yield: 98.0%

1-benzyl-3-ethoxycarbonylmethyl-pyridinium chloride (1232140-16-7) → ethyl 2-(piperidin-3-yl)acetate (64995-88-6,81290-45-1)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; at 20 ℃; for 8h; under 7500.75 Torr;

DOI:10.1080/00397911.2010.536293

Reference yield:

pyridin-3-yl-acetic acid ethyl ester (39931-77-6) + MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) → ethyl 2-(piperidin-3-yl)acetate (64995-88-6,81290-45-1)

Guidance literature:

With hydrogen; In ethanol; ethyl acetate;

upstream raw materials:

pyridin-3-yl-acetic acid ethyl ester

MANDELIC ACID

1-benzyl-3-ethoxycarbonylmethyl-pyridinium chloride

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

Downstream raw materials:

(3'R) ethyl 2-[N-(t-butoxycarbonyl)piperidin-3-yl]acetate

ethyl (3R)-piperidin-3-ylacetate

ethyl 2-((3R)-piperidin-3-yl)acetate L-(+)-mandelate

Refernces

• 1、 -. "A SUBSTITUTED PYRIMIDINE AS A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST". Page/Page column 31; 32. . Retrieved 2011/10/10.
• 2、 Islam, Imadul,Bryant, Judi,May, Karen,Mohan, Raju,Yuan, Shendong,Kent, Lorraine,Morser, John,Zhao, Lei,Vergona, Ron,White, Kathy,Adler, Marc,Whitlow, Marc,Buckman, Brad O.. "3-Mercaptopropionic acids as efficacious inhibitors of activated thrombin activatable fibrinolysis inhibitor (TAFIa)". . p. 1349 - 1354. Retrieved 2007/10/03.