1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one
• CAS No.: 846057-27-0
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• DSSTox Substance ID: DTXSID20596637
• Wikidata: Q72435754
• Mol file: 846057-27-0.mol

Synonyms:846057-27-0;1-(4-(hydroxymethyl)piperidin-1-yl)ethanone;1-(4-Hydroxymethyl-piperidin-1-yl)-ethanone;1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one;(1-ACETYLPIPERIDIN-4-YL)METHANOL;1-[4-(hydroxymethyl)piperidin-1-yl]ethanone;MFCD11611130;1-[4-(Hydroxymethyl)-1-piperidyl]ethanone;SCHEMBL3314951;DTXSID20596637;NBVJYNNOTNTJRX-UHFFFAOYSA-N;1-Acetyl-4-hydroxymethylpiperidine;AB9440;hydroxymethyl)piperidin-1-yl]ethanone;AKOS005173756;SB12896;AM101341;AS-44969;BP-11716;SY059100;1-(4-Hydroxymethylpiperidin-1-yl)ethanone;DB-328536;CS-0052674;1-[4-(hydroxymethyl)-1-piperidinyl]-Ethanone;A864050;F1905-0270

Chemical Property of 1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one

Chemical Property:

• Boiling Point: 309.8±15.0 °C(Predicted)
• PKA: 14.94±0.10(Predicted)
• PSA: 40.54000
• Density: 1.067±0.06 g/cm3(Predicted)
• LogP: 0.17510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99%, ^*data from raw suppliers

(1-Acetylpiperidin-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one

There total 8 articles about 1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-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: 99.0%

4-piperidinemethanol (6457-49-4) + acetic anhydride (108-24-7) → 1-[4-(hydroxymethyl)piperidin-1-yl]ethan-1-one (846057-27-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 18h; chemoselective reaction;

DOI:10.1055/s-0029-1217335

Reference yield: 82.0%

4-piperidinemethanol hydrochloride (90748-01-9) + acetic anhydride (108-24-7) → 1-[4-(hydroxymethyl)piperidin-1-yl]ethan-1-one (846057-27-0)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 3h;

Reference yield: 38.0%

4-piperidinemethanol (6457-49-4) + acetic acid (64-19-7,77671-22-8) → 1-[4-(hydroxymethyl)piperidin-1-yl]ethan-1-one (846057-27-0)

Guidance literature:

acetic acid; With chloroformic acid ethyl ester; triethylamine; In dichloromethane; at 0 ℃; for 1h;

4-piperidinemethanol; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

1-piperidinomethanol

4-piperidinemethanol

acetic acid

acetic anhydride

Downstream raw materials:

(1-acetylpiperidin-4-yl)methyl 4-methylbenzenesulfonate

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