1-(4-Acetylpiperidino)ethan-1-one

Base Information

• Chemical Name: 1-(4-Acetylpiperidino)ethan-1-one
• CAS No.: 162368-01-6
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.224
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40380434
• Wikidata: Q82170663
• Mol file: 162368-01-6.mol

Synonyms:162368-01-6;1-(4-ACETYLPIPERIDINO)ETHAN-1-ONE;1-(1-acetylpiperidin-4-yl)ethanone;1-(1-Acetyl-piperidin-4-yl)-ethanone;1,1'-(piperidine-1,4-diyl)diethanone;1,1'-(piperidine-1,4-diyl)bis(ethan-1-one);1-(4-acetylpiperidin-1-yl)ethan-1-one;1,4-Diacetylpiperidine;Piperidine, 1,4-diacetyl-;Ethanone,1-(1-acetyl-4-piperidinyl)-;SCHEMBL190928;DTXSID40380434;VFZXZEJGLKOTBW-UHFFFAOYSA-N;MFCD00106774;1-(1-Acetyl-piperidin-4-yl)ethanone;AKOS006229032;SB34077;TS-02302;AM20080451;CS-0120609;FT-0648420;1,1'-(Piperidine-1,4-diyl)di(ethan-1-one)

Chemical Property of 1-(4-Acetylpiperidino)ethan-1-one

Chemical Property:

• Vapor Pressure: 0.000659mmHg at 25°C
• Boiling Point: 308.9°Cat760mmHg
• PKA: -1.36±0.40(Predicted)
• Flash Point: 137.7°C
• PSA: 37.38000
• Density: 1.057g/cm³
• LogP: 0.77180
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Acetylpiperidino)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCN(CC1)C(=O)C

Technology Process of 1-(4-Acetylpiperidino)ethan-1-one

There total 3 articles about 1-(4-Acetylpiperidino)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: 95.55%

1-acetyl-N-methoxy-N-methylpiperidine-4-carboxamide (213886-98-7) + methylmagnesium bromide (75-16-1) → N-acetyl-1-(piperidin-4-yl)ethanone (162368-01-6)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Reference yield:

1-acetyl-piperidine-4-carboxylic acid (25503-90-6) → N-acetyl-1-(piperidin-4-yl)ethanone (162368-01-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,1'-carbonyldiimidazole / dichloromethane / 0.5 h

1.2: 16 h / 20 °C

2.1: tetrahydrofuran / 2 h / 0 - 20 °C

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; dichloromethane;

Reference yield:

isonipecotic acid (498-94-2) → N-acetyl-1-(piperidin-4-yl)ethanone (162368-01-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 6 h / 130 °C

2.1: 1,1'-carbonyldiimidazole / dichloromethane / 0.5 h

2.2: 16 h / 20 °C

3.1: tetrahydrofuran / 2 h / 0 - 20 °C

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; dichloromethane;

upstream raw materials:

1-acetyl-N-methoxy-N-methylpiperidine-4-carboxamide

methylmagnesium bromide

isonipecotic acid

1-acetyl-piperidine-4-carboxylic acid

Downstream raw materials:

1-(1-acetylpiperidin-4-yl)-2-bromoethanone

1-(4-(2-(5-bromo-3-phenoxypyridin-2-ylamino)thiazol-4-yl)piperidin-1-yl)ethanone

1-(4-(2-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)thiazol-4-yl)piperidin-1-yl)ethanone

methyl 3-(6-(4-(1-acetylpiperidin-4-yl)thiazol-2-ylamino)-5-phenoxypyridin-3-ylthio)propanoate