4-(3-Fluorophenyl)piperidine

Base Information

• Chemical Name: 4-(3-Fluorophenyl)piperidine
• CAS No.: 104774-88-1
• Molecular Formula: C11H14FN
• Molecular Weight: 179.237
• Hs Code.: 2933399090
• European Community (EC) Number: 676-129-7
• DSSTox Substance ID: DTXSID00551082
• Wikidata: Q72476329
• Mol file: 104774-88-1.mol

Synonyms:4-(3-fluorophenyl)piperidine;104774-88-1;4-(3-Fluoro-phenyl)-piperidine;SCHEMBL378006;4-(3-fluorophenyl)-piperidine;DTXSID00551082;BCYGJJOHAFKLLF-UHFFFAOYSA-N;MFCD05189920;AKOS000209085;AB21594;AS-37432;4-(3-fluoro-phenyl)-piperidine, AldrichCPR;CS-0171125;EN300-146316;Q-102119;F8880-3544

Chemical Property of 4-(3-Fluorophenyl)piperidine

Chemical Property:

• Appearance/Colour: Gray-white power
• Vapor Pressure: 0.0163mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 255.5 °C at 760 mmHg
• PKA: 10.12±0.10(Predicted)
• Flash Point: 108.3 °C
• PSA: 12.03000
• Density: 1.048 g/cm³
• LogP: 2.62150
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.111027613
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Fluoro-phenyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 52

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CC(=CC=C2)F

Technology Process of 4-(3-Fluorophenyl)piperidine

There total 5 articles about 4-(3-Fluorophenyl)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: 98.0%

tert-butyl 4-(3-fluorophenyl)piperidine-1-carboxylate (1086398-00-6) → 4-(3-fluorophenyl)piperidine (104774-88-1)

Guidance literature:

With trifluoroacetic acid; at 25 ℃; for 2h;

DOI:10.1016/j.bmcl.2010.08.047

Reference yield:

4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester (138647-49-1) → 4-(3-fluorophenyl)piperidine (104774-88-1)

Guidance literature:

Multi-step reaction with 3 steps

1: bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / 1,2-dimethoxyethane; water / 3 h / 80 °C / Inert atmosphere

2: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 45 °C

3: trifluoroacetic acid / dichloromethane / 4 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; palladium 10% on activated carbon; hydrogen; potassium carbonate; trifluoroacetic acid; In methanol; 1,2-dimethoxyethane; dichloromethane; water;

DOI:10.1016/j.bmcl.2018.04.040

Reference yield:

3-fluorophenylboronic acid (768-35-4) → 4-(3-fluorophenyl)piperidine (104774-88-1)

Guidance literature:

Multi-step reaction with 3 steps

1: bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / 1,2-dimethoxyethane; water / 3 h / 80 °C / Inert atmosphere

2: hydrogen; palladium 10% on activated carbon / methanol / 3 h / 45 °C

3: trifluoroacetic acid / dichloromethane / 4 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; palladium 10% on activated carbon; hydrogen; potassium carbonate; trifluoroacetic acid; In methanol; 1,2-dimethoxyethane; dichloromethane; water;

DOI:10.1016/j.bmcl.2018.04.040

upstream raw materials:

1,2,3,6-tetrahydropyridine

fluorobenzene

tert-butyl 4-(3-fluorophenyl)piperidine-1-carboxylate

4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

2-{2-[4-(3-Fluoro-phenyl)-piperidin-1-yl]-ethoxy}-benzaldehyde

2-{3-[4-(3-Fluoro-phenyl)-piperidin-1-yl]-propoxy}-benzaldehyde

2-(2-{2-[4-(3-Fluoro-phenyl)-piperidin-1-yl]-ethoxy}-phenyl)-thiazolidine-3-carboxylic acid methylamide

2-(2-{3-[4-(3-Fluoro-phenyl)-piperidin-1-yl]-propoxy}-phenyl)-thiazolidine-3-carboxylic acid methylamide