(4-Fluorophenyl)(piperidin-1-yl)methanone

Base Information

• Chemical Name: (4-Fluorophenyl)(piperidin-1-yl)methanone
• CAS No.: 58547-67-4
• Molecular Formula: C12H14FNO
• Molecular Weight: 207.248
• Hs Code.: 2933399990
• European Community (EC) Number: 670-585-0
• DSSTox Substance ID: DTXSID70371956
• Nikkaji Number: J2.209.113A
• Wikidata: Q82159517
• Mol file: 58547-67-4.mol

Synonyms:58547-67-4;N-(4-Fluorobenzoyl)piperidine;(4-fluorophenyl)(piperidin-1-yl)methanone;1-Fluoro-4-(piperidinocarbonyl)benzene;1-(4-fluorobenzoyl)piperidine;(4-fluorophenyl)-piperidin-1-ylmethanone;4-fluorobenzoylpiperidine;SCHEMBL3355334;DTXSID70371956;UVBXLMBIXAPNBB-UHFFFAOYSA-N;(4-Fluorophenyl)carbonylpiperidine;MFCD00174322;STK893145;AKOS001249606;FS-1121;SB43518;(4-fluorophenyl)-(1-piperidyl)methanone;CS-0212064;FT-0629224;A831914;SR-01000597220;SR-01000597220-1;Z31424003

Chemical Property of (4-Fluorophenyl)(piperidin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 0.000146mmHg at 25°C
• Melting Point: 60 °C
• Refractive Index: 1.542
• Boiling Point: 332.5 °C at 760 mmHg
• PKA: -1.21±0.20(Predicted)
• Flash Point: 154.9 °C
• Density: 1.159 g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.105942232
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

1-Fluoro-4-(piperidinocarbonyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Fluorophenyl)(piperidin-1-yl)methanone

There total 17 articles about (4-Fluorophenyl)(piperidin-1-yl)methanone 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: 97.0%

piperidine (110-89-4) + 4-fluorobenzaldehyde (459-57-4) → N-(p-fluorobenzoyl)piperidine (58547-67-4)

Guidance literature:

piperidine; With C₂₄H₄₈KO₆⁽¹⁺⁾*C₁₀₈H₁₅₂KLa₂O₁₂^(1-); for 0.5h; Inert atmosphere;

4-fluorobenzaldehyde; at 25 ℃; for 22h; Inert atmosphere;

DOI:10.1021/om200283j

Reference yield: 96.0%

piperidine (110-89-4) + carbon monoxide (201230-82-2) + 1-Bromo-4-fluorobenzene (460-00-4) → N-(p-fluorobenzoyl)piperidine (58547-67-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; dicobalt octacarbonyl; In tert-Amyl alcohol; for 48h; under 1520.1 Torr; Irradiation;

DOI:10.1039/d0sc02178d

Reference yield: 79.0%

piperidine (110-89-4) + 1,2-bis(4-fluorophenyl)ethane-1,2-dione (579-39-5) → N-(p-fluorobenzoyl)piperidine (58547-67-4)

Guidance literature:

With tert.-butylhydroperoxide; potassium carbonate; In tetrahydrofuran; at 80 ℃; for 12h; Sealed tube;

DOI:10.1039/c3ob41392f

upstream raw materials:

piperidine

1-Bromo-4-fluorobenzene

4-fluorobenzaldehyde

N-chloropiperidine

Downstream raw materials:

4-fluorobenzylpiperidine

Refernces

• 1、 Kurose, Yuma,Imada, Yasushi,Okada, Yohei,Chiba, Kazuhiro. "Electrochemical Amide Bond Formation from Benzaldehydes and Amines: Oxidation by Cathodic-Generated Hydrogen Peroxide". supporting information. p. 3844 - 3846. Retrieved 2020/06/23.
• 2、 Su, Jianke,Li, Wendong,Li, Xin,Xu, Jian,Song, Qiuling. "Palladium-Catalyzed Desulfurative Amide Formation from Thioureas and Arylboronic Acids". . p. 5664 - 5668. Retrieved 2020/10/02.