Methyl 4-piperidineacetate

Base Information

• Chemical Name: Methyl 4-piperidineacetate
• CAS No.: 168986-49-0
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• Hs Code.: 29333990
• European Community (EC) Number: 676-251-0
• DSSTox Substance ID: DTXSID20363927
• Wikidata: Q72495744
• Mol file: 168986-49-0.mol

Synonyms:168986-49-0;Methyl 4-piperidineacetate;methyl 2-(piperidin-4-yl)acetate;4-Piperidine acetic acid methyl ester;methyl piperidin-4-ylacetate;methyl 2-piperidin-4-ylacetate;piperidin-4-yl-acetic acid methyl ester;Methyl 4-Piperidine Acetate;Methyl (piperidin-4-yl)acetate;Methyl2-(piperidin-4-yl)acetate;MFCD04115353;Methyl 2-(4-piperidyl)acetate;4-Piperidineacetic acid, methyl ester;4-Piperidineaceticacidethylester;methyl-4-piperidyl-acetate;SCHEMBL473986;AMY764;DTXSID20363927;BCP22783;4-piperidineacetic acid methyl ester;STK352934;AKOS000321324;AB19927;AC-2806;BCP9000916;GS-3556;Piperidin-4-ylacetic acid methyl ester;NCGC00338410-01;BP-10686;A3735;A8333;BB 0254558;CS-0172522;FT-0630069;EN300-52277;AB01331021-02;4-piperidine acetic acid methyl ester, AldrichCPR;Q-102144;2-(1-methylpiperidin-4-yl)acetate;4-Piperidineacetic acid methyl ester;4-PIPERIDINE ACETIC ACID METHYL ESTER

Chemical Property of Methyl 4-piperidineacetate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 213.1 °C at 760 mmHg
• PKA: 10.40±0.10(Predicted)
• Flash Point: 82.7 °C
• PSA: 38.33000
• Density: 0.982 g/cm³
• LogP: 0.87790
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

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

4-PiperidineAceticAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1CCNCC1

Technology Process of Methyl 4-piperidineacetate

There total 6 articles about Methyl 4-piperidineacetate 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%

methanol (67-56-1) + 4-piperidinylacetic acid (51052-78-9) → 4-piperidine acetic acid methyl ester (168986-49-0)

Guidance literature:

With acetyl chloride; at 60 ℃; for 7h;

Reference yield:

methyl 4-pyridineacetate (29800-89-3) → 4-piperidine acetic acid methyl ester (168986-49-0)

Guidance literature:

With hydrogenchloride; platinum(IV) oxide; hydrogen; In methanol; water; at 20 ℃; for 2h; under 1551.49 Torr;

Reference yield:

pyridine-4-acetic acid (28356-58-3) → 4-piperidine acetic acid methyl ester (168986-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂, H⁺ / PtO₂

2: SOCl₂

With thionyl chloride; hydrogen; hydrogen cation; platinum(IV) oxide;

DOI:10.1016/S0960-894X(97)00366-1

upstream raw materials:

methanol

4-piperidinylacetic acid

pyridine-4-acetic acid

methyl 4-pyridineacetate

Downstream raw materials:

C₂₇H₃₁N₃O₄S

[1-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-piperidine-1-carbonyl)-piperidin-4-yl]-acetic acid

1-t-Butoxycarbonyl-4-(methoxycarbonylmethyl)piperidine

4-(bromo-carboxy-methyl)-piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "PYRIDAZINE DERIVATIVES AS SMARCA2/4 DEGRADERS". Page/Page column 154. . Retrieved 2019/11/12.
• 2、 Rossi, Cristina,Porcelloni, Marina,D'Andrea, Piero,Fincham, Christopher I.,Ettorre, Alessandro,Mauro, Sandro,Squarcia, Antonella,Bigioni, Mario,Parlani, Massimo,Nardelli, Federica,Binaschi, Monica,Maggi, Carlo A.,Fattori, Daniela. "Alkyl piperidine and piperazine hydroxamic acids as HDAC inhibitors". scheme or table. p. 2305 - 2308. Retrieved 2011/05/15.