3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one

Base Information

• Chemical Name: 3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
• CAS No.: 82647-26-5
• Molecular Formula: C₁₂H₁₇NO₄
• Molecular Weight: 239.271
• DSSTox Substance ID: DTXSID10352163
• Nikkaji Number: J2.820.384E
• Mol file: 82647-26-5.mol

Synonyms:82647-26-5;3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one;4H-Pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-(1-piperidinylmethyl)-;IFLab1_001793;Oprea1_438172;DTXSID10352163;HMS1417B11;KUC108695N;STK611966;AKOS000808272;SDCCGMLS-0065450.P001;KSC-11-266-8;SR-01000006509;SR-01000006509-1;Z56915471;F0499-0033

Chemical Property of 3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one

Chemical Property:

• PSA: 73.91000
• LogP: 0.76150
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 239.11575802
• Heavy Atom Count: 17
• Complexity: 367

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O

Technology Process of 3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one

There total 2 articles about 3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)-4H-pyran-4-one 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: 94.0%

piperidine (110-89-4) + 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (501-30-4,123712-78-7) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-hydroxy-6-hydroxymethyl-2-piperidinomethylpyran-4(1H)-one (82647-26-5)

Guidance literature:

In methanol; at 65 ℃;

DOI:10.1016/j.jorganchem.2010.01.007

Reference yield:

→ 3-hydroxy-6-hydroxymethyl-2-piperidinomethylpyran-4(1H)-one (82647-26-5)

Guidance literature:

aus Kojisaeure, 37percentig wss. Formaldehyd- Lsg., Piperidin in A.;

DOI:10.1021/jo01071a024

Reference yield:

3-hydroxy-6-hydroxymethyl-2-piperidinomethylpyran-4(1H)-one (82647-26-5) + benzyl bromide (100-39-0) → C19H23NO4

Guidance literature:

With sodium hydroxide; In methanol; water; for 6h; Heating;

DOI:10.1016/j.ejmech.2007.07.011

upstream raw materials:

piperidine

5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one

formaldehyd

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