1-Hexylpiperidin-4-one

Base Information

• Chemical Name: 1-Hexylpiperidin-4-one
• CAS No.: 71072-22-5
• Molecular Formula: C11H21NO
• Molecular Weight: 183.29054
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40434103
• Wikidata: Q82248426
• Mol file: 71072-22-5.mol

Synonyms:1-hexylpiperidin-4-one;71072-22-5;1-hexyltetrahydro-4(1H)-pyridinone;N-hexylpiperid-4-one;SCHEMBL3729284;DTXSID40434103;MFCD09027179;AKOS005073429;LA-0800;SB41931;FT-0681173;J-504661

Chemical Property of 1-Hexylpiperidin-4-one

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 100°/1mm
• Flash Point: 112.778°C
• PSA: 20.31000
• Density: 0.928g/cm³
• LogP: 2.16950
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 183.162314293
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

1-Hexyltetrahydro-4(1H)-pyridinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1CCC(=O)CC1

Technology Process of 1-Hexylpiperidin-4-one

There total 4 articles about 1-Hexylpiperidin-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: 79.0%

1-Hexyl-4-oxo-piperidine-3-carboxylic acid methyl ester (167279-50-7) → 1-n-hexyl-4-piperidone (71072-22-5)

Guidance literature:

With hydrogenchloride; for 15h; Heating;

DOI:10.1021/jo00110a049

Reference yield:

hexan-1-amine (111-26-2) → 1-n-hexyl-4-piperidone (71072-22-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / methanol / 24 h / Ambient temperature

2: 43 percent / NaH, MeOH / benzene / 4 h / Heating

3: 79 percent / 2.4 N aq. HCl / 15 h / Heating

With hydrogenchloride; methanol; sodium hydride; In methanol; benzene;

DOI:10.1021/jo00110a049

Reference yield:

methyl 3-[hexyl(3-methoxy-3-oxopropyl)amino]propanoate (167279-47-2) → 1-n-hexyl-4-piperidone (71072-22-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 43 percent / NaH, MeOH / benzene / 4 h / Heating

2: 79 percent / 2.4 N aq. HCl / 15 h / Heating

With hydrogenchloride; methanol; sodium hydride; In benzene;

DOI:10.1021/jo00110a049

upstream raw materials:

1-Hexyl-4-oxo-piperidine-3-carboxylic acid methyl ester

hexan-1-amine

methyl 3-[hexyl(3-methoxy-3-oxopropyl)amino]propanoate

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