4-Hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one

Base Information

• Chemical Name: 4-Hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one
• CAS No.: 102005-09-4
• Molecular Formula: C15H21NO2
• Molecular Weight: 247.337
• DSSTox Substance ID: DTXSID90594428
• Mol file: 102005-09-4.mol

Synonyms:102005-09-4;4-Hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one;SCHEMBL7165432;DTXSID90594428;LCPKPMYUYFGJQQ-UHFFFAOYSA-N;4-hydroxy-4-phenyl-1-piperidin-1-yl-butan-1-one;4-hydroxy-4-phenyl-1-piperidine-1-yl-butan-1-one

Chemical Property of 4-Hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 247.157228913
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)O

Technology Process of 4-Hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one

There total 4 articles about 4-Hydroxy-4-phenyl-1-(piperidin-1-yl)butan-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: 98.0%

1-phenyl-4-(piperidin-1-yl)butane-1,4-dione (4810-95-1) → 4-hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one (102005-09-4)

Guidance literature:

With C₅₀H₅₂Cl₂O₄P₂Ru*C₁₉H₂₆N₂O₂; potassium tert-butylate; hydrogen; In isopropyl alcohol; at 30 ℃; for 15h; under 7600.51 Torr; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo5008916

Reference yield: 90.0%

piperidine (110-89-4) + 4,5-dihydro-5-phenyl-2(3H)-furanone (1008-76-0) → 4-hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one (102005-09-4)

Guidance literature:

In water; for 4h; Heating;

Reference yield: 62.0%

→ 4-hydroxy-4-phenyl-1-(piperidin-1-yl)butan-1-one (102005-09-4)

Guidance literature:

upstream raw materials:

piperidine

4,5-dihydro-5-phenyl-2(3H)-furanone

1-phenyl-4-(piperidin-1-yl)butane-1,4-dione

succinylbenzene

Downstream raw materials:

1-phenyl-4-(piperidin-1-yl)butane-1,4-dione