1-Ethyl-4-piperidone

Base Information

• Chemical Name: 1-Ethyl-4-piperidone
• CAS No.: 3612-18-8
• Molecular Formula: C7H13NO
• Molecular Weight: 127.186
• Hs Code.: 29333990
• European Community (EC) Number: 222-781-9
• UNII: NDD4A44NG2
• DSSTox Substance ID: DTXSID70189694
• Nikkaji Number: J205.539B
• Wikidata: Q72476959
• Mol file: 3612-18-8.mol

Synonyms:1-Ethyl-4-piperidone;1-Ethylpiperidin-4-one;3612-18-8;N-ethyl-4-piperidone;4-Piperidinone, 1-ethyl-;MFCD00013356;1-Ethyl-4-piperidinone;1-ethyl-4-oxopiperidine;1-ethyl-piperidin-4-one;EINECS 222-781-9;NDD4A44NG2;N-ethylpiperid-4-one;UNII-NDD4A44NG2;1-(ethyl)piperidin-4-one;1-Ethyl-4-piperidinone #;SCHEMBL124152;1-Ethyl-4-piperidone, 98%;AMY5271;DTXSID70189694;BBL011452;STL146564;AKOS000119426;PS-4025;SB41093;SY001787;CS-0046794;E0498;FT-0634928;EN300-20354;NN-DIETHYL-1H-INDOLE-1-CARBOXAMIDE97;W-106642;F0001-1037

Chemical Property of 1-Ethyl-4-piperidone

Chemical Property:

• Appearance/Colour: clear yellow to brown viscous liquid
• Vapor Pressure: 0.219mmHg at 25°C
• Melting Point: 30-32 °C
• Refractive Index: 1.462 - 1.466
• Boiling Point: 208 °C at 760 mmHg
• PKA: 8.10±0.20(Predicted)
• Flash Point: 68.9 °C
• PSA: 20.31000
• Density: 0.966 g/cm³
• LogP: 0.60910
• Storage Temp.: 2-8°C
• Water Solubility.: Miscible in water.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

1-Ethyl-4-piperidone >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 45-36/37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCC(=O)CC1
• Uses: 1-Ethyl-4-piperidone has been used in the preparation of 3,5-bisarylmethylene-1-ethyl-4-piperidones.

Technology Process of 1-Ethyl-4-piperidone

There total 10 articles about 1-Ethyl-4-piperidone 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: 93.0%

ethyl 1-ethyl-4-oxopiperidine-3-carboxylate (99329-51-8) → N-ethyl-4-piperidone (3612-18-8)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0960-894X(02)00228-7

Reference yield: 62.0%

ethyl bromide (74-96-4) + 4-piperidone hydrochloride (41979-39-9) → N-ethyl-4-piperidone (3612-18-8)

Guidance literature:

With potassium carbonate; In acetonitrile; for 21h;

DOI:10.1002/jhet.5570450315

Reference yield:

piperidin-4-one (41661-47-6) → N-ethyl-4-piperidone (3612-18-8)

Guidance literature:

With potassium carbonate; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.bioorg.2013.11.007

upstream raw materials:

ethyl 1-ethyl-4-oxopiperidine-3-carboxylate

ethyl 3-[N-ethyl-N-(2-ethoxycarbonylethyl)amino]propionate

4,4-ethylenedioxy-piperidine

1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone

Downstream raw materials:

1-ethyl-4-phenyl-piperidin-4-ol

1-ethyl-4-(4-fluoro-benzyl)-piperidin-4-ol

1-ethyl-4-(4-methoxy-phenyl)-piperidin-4-ol

4-amino-N-ethylpiperidine