Ethyl 2-(piperidin-4-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(piperidin-4-yl)acetate
• CAS No.: 59184-90-6
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.239
• Hs Code.: 2933399090
• European Community (EC) Number: 673-023-2
• DSSTox Substance ID: DTXSID90375173
• Nikkaji Number: J935.588J
• Wikidata: Q72476921
• Mol file: 59184-90-6.mol

Synonyms:59184-90-6;ethyl 2-(piperidin-4-yl)acetate;2-(piperidin-4-yl)-acetic acid ethyl ester;ethyl piperidin-4-ylacetate;ethyl 2-piperidin-4-ylacetate;4-Piperidineacetic acid, ethyl ester;ethyl 4-piperidineacetate;4-piperidine acetic acid ethyl ester;ethyl 2-(4-piperidinyl)acetate;Ethyl 4-piperidinylacetate;MFCD02183575;4-(ethoxycarbonylmethyl)piperidine;Ethyl 2-(4-piperidyl)acetate;Ethyl 4-piperidylacetate;ethyl-4-piperidinylacetate;ethyl 4-piperidine acetate;ethyl piperidine-4-acetate;SCHEMBL40428;Ethyl piperidin-4-yl-acetate;Ethyl (piperidin-4-yl)acetate;ethyl2-(piperidin-4-yl)acetate;DTXSID90375173;ethyl 2-(4-piperidinyl)-acetate;IHSUFLCKRIHFGY-UHFFFAOYSA-N;4-piperidineacetic acid ethyl ester;BCP21780;4-Piperidinylacetic acid ethyl ester;piperidin-4-ylacetic acid ethyl ester;AKOS005072739;AC-6484;CS-W002927;FA-0865;PB32303;piperidin-4-yl acetic acid ethyl ester;2-(4-piperidinyl)acetic acid ethyl ester;SY003777;2-(piperdin-4-yl)-acetic acid ethyl ester;2-(Piperidin-4-yl)acetic acid ethyl ester;AM20100441;FT-0647382;EN300-30459;Q-102143;2-(piperidin-4-yl)-acetic acid ethyl ester, AldrichCPR

Chemical Property of Ethyl 2-(piperidin-4-yl)acetate

Chemical Property:

• Vapor Pressure: 0.0577mmHg at 25°C
• Melting Point: 192 °C (decomp)
• Refractive Index: 1.442
• Boiling Point: 232.8 °C at 760 mmHg
• PKA: 10.41±0.10(Predicted)
• Flash Point: 94.6 °C
• PSA: 38.33000
• Density: 0.969 g/cm³
• LogP: 1.26800
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°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: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl2-(Piperidin-4-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)CC1CCNCC1
• Use Description: **2-(Piperidin-4-yl)-acetic acid ethyl ester**, also known as ethyl 2-piperidin-4-ylacetate, serves various purposes across different fields. In the pharmaceutical industry, it is a key intermediate in the synthesis of medications, particularly antipsychotic and antihistaminic drugs. Its role lies in introducing the piperidine moiety, which is a common structural component in many pharmaceuticals. In the field of organic chemistry, it acts as a valuable building block for creating diverse compounds used in research and drug development. This compound also has applications in the fragrance and flavor industry, contributing to the creation of scents and flavors that enhance various consumer products. Its versatility and significance as a foundational component make it indispensable in these fields.

Technology Process of Ethyl 2-(piperidin-4-yl)acetate

There total 20 articles about Ethyl 2-(piperidin-4-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: 100.0%

tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (135716-09-5) → ethyl (piperidin-4-yl)acetate (59184-90-6)

Guidance literature:

With hydrogenchloride; isopropyl alcohol; at 0 - 20 ℃; for 16h;

Reference yield: 95.0%

4-Ethoxycarbonylmethylene-piperidine-1-carboxylic acid phenyl ester → ethyl (piperidin-4-yl)acetate (59184-90-6)

Guidance literature:

With hydrogen; Lindlar catalyst; In methanol; for 0.75h;

DOI:10.1016/S0040-4039(97)10666-9

Reference yield: 94.0%

pyridin-4-yl-acetic acid ethyl ester (54401-85-3) → ethyl (piperidin-4-yl)acetate (59184-90-6)

Guidance literature:

With platinum(IV) oxide; hydrogen; In acetic acid; at 80 ℃; for 0.333333h; under 6205.94 Torr; Microwave irradiation;

DOI:10.1055/s-2008-1072717

upstream raw materials:

diazomethane

ethyl 4-pyridylacetate hydrochloride

1-phenylmethyl-4-piperidone

diethoxyphosphoryl-acetic acid ethyl ester

Downstream raw materials:

N-benzoyl-4-(carbethoxymethyl)piperidine

[4]piperidyl-acetic acid hydrazide

4-piperidinylacetic acid

4-(2-ethoxy-5-(4-(ethoxycarbonylmethyl)piperidinylsulfonyl)benzamido)-1-methyl-3-n-propylpyrazole-5-carboxamide

Refernces

• 1、 -. "Therapeutic Uses". Paragraph 0081; 0137; 0138; 0139. . Retrieved 2015/03/28.
• 2、 -. "THERAPEUTIC USES". Page/Page column 17; 18. . Retrieved 2013/07/31.