(S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-4-one

Base Information

• Chemical Name: (S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-4-one
• CAS No.: 228246-76-2
• Molecular Formula: C17H17NO
• Molecular Weight: 251.323
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50709859
• Wikidata: Q82644998
• Mol file: 228246-76-2.mol

Synonyms:228246-76-2;(S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-4-one;1-[(1S)-1,2-DIHYDROACENAPHTHYLEN-1-YL]PIPERIDIN-4-ONE;SCHEMBL7883594;DTXSID50709859

Chemical Property of (S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-4-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 447.741°C at 760 mmHg
• Flash Point: 210.969°C
• PSA: 20.31000
• Density: 1.241g/cm³
• LogP: 3.03980
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.131014166
• Heavy Atom Count: 19
• Complexity: 356

Purity/Quality:

98%min ^*data from raw suppliers

(S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-4-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1=O)C2CC3=CC=CC4=C3C2=CC=C4
• Isomeric SMILES: C1CN(CCC1=O)[C@H]2CC3=CC=CC4=C3C2=CC=C4

Technology Process of (S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-4-one

There total 4 articles about (S)-1-(1,2-Dihydroacenaphthylen-1-yl)piperidin-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:

(R)-1,2-dihydroacenaphthylen-1-ol (6306-07-6,92720-77-9,121961-98-6,121961-97-5) → (S)-1-(acenaphthen-1-yl)-piperidine-4-one (228246-76-2)

Guidance literature:

Multi-step reaction with 3 steps

1: (PhO)2P(O)N₃, DBU / toluene / Ambient temperature

2: H₂ / PtO₂ / ethanol / Ambient temperature

3: K₂CO₃ / ethanol / Heating

With diphenyl phosphoryl azide; hydrogen; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; platinum(IV) oxide; In ethanol; toluene;

DOI:10.1016/S0960-894X(99)00385-6

Reference yield:

(S)-1-Azido-acenaphthene → (S)-1-(acenaphthen-1-yl)-piperidine-4-one (228246-76-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / PtO₂ / ethanol / Ambient temperature

2: K₂CO₃ / ethanol / Heating

With hydrogen; potassium carbonate; platinum(IV) oxide; In ethanol;

DOI:10.1016/S0960-894X(99)00385-6

Reference yield:

1-methyl-1-ethyl-4-oxopiperidinium iodide (77542-18-8) + (S)-1-Acenaphthylamine (228246-74-0) → (S)-1-(acenaphthen-1-yl)-piperidine-4-one (228246-76-2)

Guidance literature:

With potassium carbonate; In ethanol; Heating;

DOI:10.1016/S0960-894X(99)00385-6

upstream raw materials:

1-methyl-1-ethyl-4-oxopiperidinium iodide

(S)-1-Acenaphthylamine

(R)-1,2-dihydroacenaphthylen-1-ol

Downstream raw materials:

(S)-4-phenylamino-1-(acenaphthen-1-yl)-piperidine-4-carbonitrile