4'-Piperidinoacetophenone

Base Information

• Chemical Name: 4'-Piperidinoacetophenone
• CAS No.: 10342-85-5
• Molecular Formula: C13H17 N O
• Molecular Weight: 203.284
• Hs Code.: 2933399090
• European Community (EC) Number: 233-746-2
• NSC Number: 102839
• DSSTox Substance ID: DTXSID4074433
• Nikkaji Number: J236.779C
• Wikidata: Q72500490
• Mol file: 10342-85-5.mol

Synonyms:10342-85-5;4'-Piperidinoacetophenone;1-(4-(PIPERIDIN-1-YL)PHENYL)ETHANONE;4-PIPERIDINOACETOPHENONE;p-(1-Piperidino)acetophenone;1-(4-piperidin-1-ylphenyl)ethanone;4/'-Piperidinoacetophenone;EINECS 233-746-2;Ethanone, 1-(4-(1-piperidinyl)phenyl)-;Ethanone, 1-[4-(1-piperidinyl)phenyl]-;1-(4-(Piperidin-1-yl)phenyl)ethan-1-one;1-[4-(piperidin-1-yl)phenyl]ethan-1-one;1-{4-(piperidin-1-yl)phenyl}ethanone;NSC102839;1-[4-(1-Piperidinyl)]phenyl]ethanone;p-(piperidino)acetophenone;1-(4-acetylphenyl)piperidine;N-(4-Acetylphenyl)piperidine;SCHEMBL702430;1-(4-piperidinophenyl)ethanone;DTXSID4074433;4'-Piperidinoacetophenone, 97%;MFCD00006481;AKOS000120702;FS-4084;NSC 102839;NSC-102839;SB43305;1-(4-piperidin-1-yl-phenyl)-ethanone;1-[4-(1-Piperidinyl)phenyl]ethanone #;FT-0619423;EN300-21028;E78374;J-640162;J-800165;F0001-0086;Z104486446

Chemical Property of 4'-Piperidinoacetophenone

Chemical Property:

• Appearance/Colour: yellow flakes
• Vapor Pressure: 2.66E-05mmHg at 25°C
• Melting Point: 85-87 °C(lit.)
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 357.8°C at 760 mmHg
• PKA: 3.59±0.20(Predicted)
• Flash Point: 140.2°C
• PSA: 20.31000
• Density: 1.052g/cm³
• LogP: 2.94450
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

98%,99%, ^*data from raw suppliers

4′-Piperidinoacetophenone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)N2CCCCC2
• Uses: Pharmacological activity:Selective antimycobacterial activityBronchodilator compound Modulation of flagellar motility in Chlamydomonas

Technology Process of 4'-Piperidinoacetophenone

There total 19 articles about 4'-Piperidinoacetophenone 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: 95.5%

piperidine (110-89-4) + para-bromoacetophenone (99-90-1) → 4-piperidinoacetophenone (10342-85-5)

Guidance literature:

With C₃₀H₂₅BrN₃PPdS; potassium carbonate; In iso-butanol; at 100 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.12.070

Reference yield: 92.0%

piperidine (110-89-4) + 1-(4-fluorophenyl)ethanone (403-42-9) → 4-piperidinoacetophenone (10342-85-5)

Guidance literature:

In dimethyl sulfoxide; at 70 - 80 ℃; for 30h;

DOI:10.1021/jo00385a012

Reference yield: 90.0%

piperidine (110-89-4) + para-chloroacetophenone (99-91-2) → 4-piperidinoacetophenone (10342-85-5)

Guidance literature:

With magnesium hydroxide nanoparticles; In 1-methyl-pyrrolidin-2-one; at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.cclet.2011.11.009

upstream raw materials:

piperidine

para-bromoacetophenone

1-(4-fluorophenyl)ethanone

p-aminobenzophenone

Downstream raw materials:

2-(4-piperidin-1-yl-phenyl)-propan-2-ol

1-(4-(piperidin-1-yl)phenyl)ethanamine

4-piperidin-1-yl-benzoic acid

Refernces

• 1、 Aremu, Deborah,Avramova, Larisa,Cooks, R. Graham,Jaman, Zinia,Logsdon, David L.,Sobreira, Tiago J. P.,Szilágyi, Botond,Thompson, David H.. "High-Throughput Experimentation and Continuous Flow Evaluation of Nucleophilic Aromatic Substitution Reactions". . . Retrieved 2020.
• 2、 Wang, Peng,Wang, Chen,Zhu, Zhenzhen,Xu, Sicong,Hou, Yunlei,Zhao, Yanfang. "A novel and unusual method for C[sbnd]N bond formation between benzene ring and various amines". supporting information. . Retrieved 2021/09/09.
• 3、 -. "COMPOUNDS AND METHODS OF THEIR USE". Page/Page column 85. . Retrieved 2020/05/19.