Ethyl 1-acetylpiperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-acetylpiperidine-4-carboxylate
• CAS No.: 69001-10-1
• Molecular Formula: C10H17 N O3
• Molecular Weight: 199.25
• European Community (EC) Number: 273-678-0
• DSSTox Substance ID: DTXSID10988764
• Nikkaji Number: J332.786H
• Wikidata: Q82977450
• Mol file: 69001-10-1.mol

Synonyms:Ethyl 1-acetylpiperidine-4-carboxylate;69001-10-1;EINECS 273-678-0;SCHEMBL5885563;DTXSID10988764;AB9194;MFCD01195307;STK098863;Ethyl1-acetylpiperidine-4-carboxylate;AKOS003277539;SB42697;CS-0361348;1-Acetyl-4-piperidinecarboxylic acid ethyl ester

Chemical Property of Ethyl 1-acetylpiperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.00049mmHg at 25°C
• Boiling Point: 313.6°C at 760 mmHg
• Flash Point: 143.5°C
• PSA: 46.61000
• Density: 1.089g/cm³
• LogP: 0.74590
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.12084340
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Ethyl1-acetylpiperidine-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)C

Technology Process of Ethyl 1-acetylpiperidine-4-carboxylate

There total 4 articles about Ethyl 1-acetylpiperidine-4-carboxylate 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: 91.0%

isonipecotic acid (498-94-2) + Triethyl orthoacetate (78-39-7) → 1-acetyl-piperidine-4-carboxylic acid ethyl ester (69001-10-1)

Guidance literature:

at 125 ℃; for 24h;

DOI:10.1016/j.tetlet.2010.10.081

Reference yield: 86.0%

4-carbethoxypiperidine (1126-09-6) + acetic anhydride (108-24-7) → 1-acetyl-piperidine-4-carboxylic acid ethyl ester (69001-10-1)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 3h;

Reference yield:

4-carbethoxypiperidine (1126-09-6) + acetyl chloride (75-36-5) → 1-acetyl-piperidine-4-carboxylic acid ethyl ester (69001-10-1)

Guidance literature:

With chloroform; potassium carbonate;

DOI:10.1039/jr9410000041

upstream raw materials:

4-carbethoxypiperidine

acetyl chloride

acetic anhydride

isonipecotic acid

Downstream raw materials:

N-acetylpiperidine-4-carboxaldehyde

methyl [(1S)-1-({(2S)-2-[4-(4′-{2-[8-acetyl-2-((2S)-3-methyl-2-{[(methyloxy)carbonyl]amino}butanoyl)-2,8-diazaspiro[4.5]-dec-3-yl]-1H-imidazol-4-yl}-4-biphenylyl)-1H-imidazol-2-yl]-1-pyrrolidinyl}carbonyl)-2-methylpropyl]carbamate

C₄₆H₆₀N₈O₉

4-carbethoxypiperidine