4-(4-Fluorobenzoyl)piperidine

Base Information

• Chemical Name: 4-(4-Fluorobenzoyl)piperidine
• CAS No.: 56346-57-7
• Molecular Formula: C12H14FNO
• Molecular Weight: 207.248
• Hs Code.: 2933399090
• European Community (EC) Number: 803-927-6
• UNII: 4K4JJ6US7T
• DSSTox Substance ID: DTXSID001347223
• Nikkaji Number: J257.413F
• ChEMBL ID: CHEMBL148189
• Mol file: 56346-57-7.mol

Synonyms:4-(4-Fluorobenzoyl)piperidine;56346-57-7;(4-fluorophenyl)(piperidin-4-yl)methanone;4-(4-fluoro-benzoyl)-piperidine;4- (4-Fluorobenzoyl)-piperidine;METHANONE, (4-FLUOROPHENYL)-4-PIPERIDINYL-;(4-fluorophenyl)-4-piperidinylmethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;(4-Fluoro-phenyl)-piperidin-4-yl-methanone;4-(P-FLUOROBENZOYL)PIPERIDINE;4K4JJ6US7T;CHEMBL148189;4-(4-fluorobenzoyl)-piperidine;4-fluorophenyl-4-piperidinyl methanone;Maybridge1_003304;UNII-4K4JJ6US7T;Oprea1_026899;4-(4-fluorbenzoyl)piperidine;SCHEMBL228259;4-(p-fluorobenzoyl)-piperidine;4-(4'-fluorobenzoyl)piperidine;4-(4-fluorobenzoyl) piperidine;ABERUOJGWHYBJL-UHFFFAOYSA-N;DTXSID001347223;BDBM50004316;MFCD03411595;4-Fluorophenyl(4-piperidinyl) ketone;AKOS000200078;AB14167;AC-6306;CCG-243729;FS-4439;SDCCGMLS-0066093.P001;(4-fluorophenyl)piperidin-4-ylmethanone;4-[(4-fluorophenyl)carbonyl]piperidine;4-Fluorophenyl piperidin-4-yl methanone;(4-fluorophenyl)(4-piperidinyl)methanone;(4-Fluoro-phenyl)-piperidin4-yl-methanone;(4-fluorophenyl) (4-piperidinyl)methanone;4-(4-fluorobenzoyl)piperidine, AldrichCPR;(4-fluorophenyl) (4-piperidinyl) methanone;AM20040728;BB 0258952;CS-0046222;FT-0616622;EN300-26355;Q-102117;(4-fluorophenyl)-piperidin-4-ylmethanone,hydrochloride;BRD-K68125677-003-01-5

Chemical Property of 4-(4-Fluorobenzoyl)piperidine

Chemical Property:

• Vapor Pressure: 0.000589mmHg at 25°C
• Melting Point: 225-227 °C
• Refractive Index: 1.536
• Boiling Point: 323.2 °C at 760 mmHg
• PKA: 9.69±0.10(Predicted)
• Flash Point: 149.3 °C
• PSA: 29.10000
• Density: 1.128 g/cm³
• LogP: 2.33680
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.105942232
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Fluorobenzoyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C(=O)C2=CC=C(C=C2)F

Technology Process of 4-(4-Fluorobenzoyl)piperidine

There total 16 articles about 4-(4-Fluorobenzoyl)piperidine 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: 83.0%

1-(4-(4-fluorobenzoyl)piperidin-1-yl)ethanone (25519-77-1) → (4-fluorophenyl)-piperidin-4-ylmethanone (56346-57-7)

Guidance literature:

With oxonium;

DOI:10.1021/jm00104a017

Reference yield: 82.0%

4-(4-fluorobenzoyl)piperidine hydrochloride (25519-78-2) → (4-fluorophenyl)-piperidin-4-ylmethanone (56346-57-7)

Guidance literature:

With sodium carbonate; In methanol; at 20 ℃; for 4h; Reagent/catalyst;

DOI:10.1002/jhet.1897

Reference yield: 77.0%

isonipecotic acid (498-94-2) + fluorobenzene (462-06-6) → (4-fluorophenyl)-piperidin-4-ylmethanone (56346-57-7)

Guidance literature:

With trifluorormethanesulfonic acid; tris(methyl salicylate)phoshate ester; at 20 ℃; for 0.333333h; regioselective reaction;

DOI:10.1039/c6cc09618b

upstream raw materials:

1-(4-(4-fluorobenzoyl)piperidin-1-yl)ethanone

1-acetylpiperidine-4-carbonyl chloride

1-acetyl-piperidine-4-carboxylic acid

isonipecotic acid

Downstream raw materials:

(4-Fluoro-phenyl)-{1-[5-(4-fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-piperidin-4-yl}-methanone

(4-fluorophenyl)(1-methylpiperidin-4-yl)methanone

(1-{3-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-propyl}-piperidin-4-yl)-(4-fluoro-phenyl)-methanone

2-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-2-oxo-ethyl}-indan-1-one