4-Piperidinobutyrophenone

Base Information

• Chemical Name: 4-Piperidinobutyrophenone
• CAS No.: 4476-25-9
• Molecular Formula: C15H21 N O
• Molecular Weight: 231.33
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20196297
• Nikkaji Number: J67.486I
• Wikidata: Q83069361
• Mol file: 4476-25-9.mol

Synonyms:4-Piperidinobutyrophenone;4476-25-9;BRN 0167020;3'-(1-Piperidyl)butyrophenone;BUTYROPHENONE, 4-PIPERIDINO-;1-Butanone, 1-phenyl-4-(1-piperidinyl)-;1-Butanone, 1-phenyl-4-(1-piperidinyl)- (9CI);5-20-02-00354 (Beilstein Handbook Reference);gamma-Piperidinobutyrophenone;SCHEMBL7645836;DTXSID20196297;WLTFPYVGECWXFO-UHFFFAOYSA-N;AKOS009057804;1-phenyl-4-(1-piperidinyl)butan-1-one;LS-48476;1-PHENYL-4-(1-PIPERIDYL)BUTAN-1-ONE

Chemical Property of 4-Piperidinobutyrophenone

Chemical Property:

• Vapor Pressure: 1.89E-05mmHg at 25°C
• Boiling Point: 362.8°Cat760mmHg
• Flash Point: 132.6°C
• PSA: 20.31000
• Density: 1.016g/cm³
• LogP: 3.07330
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 231.162314293
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Piperidinobutyrophenone

There total 9 articles about 4-Piperidinobutyrophenone 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: 62.0%

1-(4-phenylbutyl)piperidine (41208-52-0) → 1-phenyl-4-(1-piperidinyl)butan-1-one (4476-25-9)

Guidance literature:

1-(4-phenylbutyl)piperidine; With trifluoroacetic acid; for 0.0833333h; Sealed tube;

With pyridine; 2-Picolinic acid; tert.-butylhydroperoxide; iron(III) chloride hexahydrate; In water; acetonitrile; at 20 ℃; for 48h;

DOI:10.1021/acs.orglett.6b02003

Reference yield: 31.0%

→ 1-phenyl-4-(1-piperidinyl)butan-1-one (4476-25-9)

Guidance literature:

Reference yield:

piperidine (110-89-4) + 4-chloro-1-phenylbutan-1-one (939-52-6) → 1-phenyl-4-(1-piperidinyl)butan-1-one (4476-25-9)

Guidance literature:

With potassium iodide; In ethylene glycol; toluene; at 100 ℃; for 12h;

DOI:10.1016/0223-5234(96)80365-5

upstream raw materials:

1-phenyl-4-piperidin-1-yl-butan-1-ol

piperidine

2-(3-chloropropyl)-2-phenyl-[1,3]dioxolane

4-iodobutyrophenone

Downstream raw materials:

1-Methyl-1-(4-oxo-4-phenyl-butyl)-piperidinium; iodide

5-Bromo-2-phenyl-3-[2-(piperidin-1-yl)ethyl]-1H-indole