(1-Ethylpiperidin-4-yl)acetic acid

Base Information

• Chemical Name: (1-Ethylpiperidin-4-yl)acetic acid
• CAS No.: 915922-85-9
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.239
• DSSTox Substance ID: DTXSID30596466
• Mol file: 915922-85-9.mol

Synonyms:915922-85-9;(1-ethylpiperidin-4-yl)acetic acid;2-(1-ethylpiperidin-4-yl)acetic acid;(1-Ethyl-piperidin-4-yl)-acetic acid;1-ethyl-4-Piperidineacetic acid;Ethyl 4-carboxymethylpiperidine;SCHEMBL1762876;DTXSID30596466;DDHNVBMJTWHLJI-UHFFFAOYSA-N;(1-Ethyl-4-piperidinyl)acetic acid;MFCD08059874;STK505911;AKOS000303079;SB41799;DA-29402;LS-03153;CS-0298512;EN300-783085;F20911;(1-ethylpiperidin-4-yl)acetic acid(SALTDATA: 0.5HCl)

Chemical Property of (1-Ethylpiperidin-4-yl)acetic acid

Chemical Property:

• Boiling Point: 285.9±13.0 °C(Predicted)
• PKA: 4.49±0.10(Predicted)
• PSA: 40.54000
• Density: 1.023±0.06 g/cm3(Predicted)
• LogP: 1.13090
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

(1-ethylpiperidin-4-yl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCC(CC1)CC(=O)O

Technology Process of (1-Ethylpiperidin-4-yl)acetic acid

There total 5 articles about (1-Ethylpiperidin-4-yl)acetic acid 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:

(1-ethylpiperidin-4-yl)acetonitrile (1379341-39-5) → (1-ethylpiperidin-4-yl)acetic acid (915922-85-9)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 20h;

DOI:10.1016/j.bmc.2012.07.018

Reference yield:

N-ethyl-4-piperidone (3612-18-8) → (1-ethylpiperidin-4-yl)acetic acid (915922-85-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium carbonate / tetrahydrofuran / 0.58 h / 20 - 70 °C / Inert atmosphere

1.2: 16 h / 20 - 70 °C

2.1: magnesium / methanol / 4 h / 0 °C

3.1: hydrogenchloride / water / 20 h / 100 °C

With hydrogenchloride; potassium carbonate; magnesium; In tetrahydrofuran; methanol; water;

DOI:10.1016/j.bmc.2012.07.018

Reference yield:

(1-ethylpiperidin-4-ylidene)acetonitrile (1247227-36-6) → (1-ethylpiperidin-4-yl)acetic acid (915922-85-9)

Guidance literature:

Multi-step reaction with 2 steps

1: magnesium / methanol / 4 h / 0 °C

2: hydrogenchloride / water / 20 h / 100 °C

With hydrogenchloride; magnesium; In methanol; water;

DOI:10.1016/j.bmc.2012.07.018

upstream raw materials:

N-ethyl-4-piperidone

(1-ethylpiperidin-4-ylidene)acetonitrile

(1-ethylpiperidin-4-yl)acetonitrile

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