1-Acetyl-4-piperidineacetic acid

Base Information

• Chemical Name: 1-Acetyl-4-piperidineacetic acid
• CAS No.: 78056-60-7
• Molecular Formula: C9H15NO3
• Molecular Weight: 185.223
• European Community (EC) Number: 881-511-3
• DSSTox Substance ID: DTXSID10439928
• Wikidata: Q72435728
• Mol file: 78056-60-7.mol

Synonyms:1-Acetyl-4-piperidineacetic acid;78056-60-7;2-(1-acetylpiperidin-4-yl)acetic acid;(1-acetylpiperidin-4-yl)acetic acid;n-acetylpiperidine-4-acetic acid;1-Acetyl-4-piperidineaceticacid;SCHEMBL2422675;DTXSID10439928;SPNAWRHVQZEFHH-UHFFFAOYSA-N;4-Piperidineacetic acid,1-acetyl-;4-Piperidineacetic acid, 1-acetyl-;(1-acetyl-4-piperidinyl)acetic acid;BBL008688;MFCD12027293;STK504211;AKOS000265843;CCG-211481;SB41435;DS-13998;1-N-ACETYL-4-PIPERIDINYLACETIC ACID;FT-0687359;A13280;EN300-317215;Q-103051;(S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid;1-Acetyl-4-piperidineacetic Acid

Chemical Property of 1-Acetyl-4-piperidineacetic acid

Chemical Property:

• Boiling Point: 389.6 °C at 760 mmHg
• Flash Point: 189.4 °C
• PSA: 57.61000
• Density: 1.15 g/cm³
• LogP: 0.65750
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

1-Acetyl-4-piperidineaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCC(CC1)CC(=O)O

Technology Process of 1-Acetyl-4-piperidineacetic acid

There total 7 articles about 1-Acetyl-4-piperidineacetic 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:

4-piperidinylacetic acid (51052-78-9) → (1-acetylpiperidin-4-yl)acetic acid (78056-60-7)

Guidance literature:

With acetic anhydride; In methanol;

Reference yield:

ethyl 2-(1-acetyl-4-piperidyl)acetate (78056-59-4) → (1-acetylpiperidin-4-yl)acetic acid (78056-60-7)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 1h;

DOI:10.1021/jm0309349

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → (1-acetylpiperidin-4-yl)acetic acid (78056-60-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: NaH / benzene / 1 h

1.2: 41 g / benzene / 0.5 h / Heating

2.1: H₂ / Pd/C / ethanol / 48 h / 2280 Torr

3.1: aq. ammonium formate / ethanol / 2.5 h / Heating

3.2: 3 h / 100 °C

4.1: 3.5 g / aq. NaOH / 1 h / 20 °C

With sodium hydroxide; hydrogen; ammonium formate; sodium hydride; palladium on activated charcoal; In ethanol; benzene; 1.2: Wittig-Horner-Emmons reaction;

DOI:10.1021/jm0309349

upstream raw materials:

acetic anhydride

2-(piperidin-4-yl)acetic acid hydrochloride

ethyl 2-(1-acetyl-4-piperidyl)acetate

1-phenylmethyl-4-piperidone

Downstream raw materials:

C₁₅H₁₇F₂NO₂

4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "CARBONYL-PIPERAZINYL AND PIPERIDINIL COMPOUNDS WHICH INHIBIT FARNESYL PROTEIN TRANSFERASE". . . Retrieved 2008/06/13.
• 2、 -. "Tricyclic compounds". . . Retrieved 2008/06/13.