1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid
• CAS No.: 139679-45-1
• Molecular Formula: C13H14FNO3
• Molecular Weight: 251.257
• DSSTox Substance ID: DTXSID70354648
• Wikidata: Q82132912
• Mol file: 139679-45-1.mol

Synonyms:1-(4-fluorobenzoyl)piperidine-4-carboxylic acid;139679-45-1;1-(4-Fluoro-benzoyl)-piperidine-4-carboxylic acid;MFCD02070181;1-(4-fluorobenzoyl)-4-piperidinecarboxylic acid;Cambridge id 7353401;SCHEMBL3305635;1-[(4-fluorophenyl)carbonyl]piperidine-4-carboxylic acid;DTXSID70354648;NOBBVBPNOXXVPA-UHFFFAOYSA-N;STK795178;AKOS000264380;SB44072;CS-0307856;FT-0748493;EN300-09032;1-(4-fluorobenzoyl)piperidine-4-carboxylicacid;J-007304

Chemical Property of 1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.44E-09mmHg at 25°C
• Boiling Point: 450.9oC at 760 mmHg
• Flash Point: 226.5oC
• PSA: 57.61000
• Density: 1.315g/cm3
• LogP: 1.70040
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 251.09577147
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-Fluorobenzoyl)piperidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)F

Technology Process of 1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid

There total 5 articles about 1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid 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:

methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate → 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid (139679-45-1)

Guidance literature:

With lithium hydroxide; In water; acetone; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2016.12.034

Reference yield:

isonipecotic acid (498-94-2) + 4-fluorobenzoyl chloride (403-43-0) → 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid (139679-45-1)

Guidance literature:

With potassium carbonate; In dichloromethane; water;

Reference yield:

4-carbethoxypiperidine (1126-09-6) + 4-fluorobenzoyl chloride (403-43-0) → 1-(4-fluorobenzoyl)piperidine-4-carboxylic acid (139679-45-1)

Guidance literature:

4-carbethoxypiperidine; 4-fluorobenzoyl chloride; With potassium carbonate; In tetrahydrofuran; for 2h; Cooling with ice;

In tetrahydrofuran; for 1.5h; Alkaline conditions; Reflux;

upstream raw materials:

isonipecotic acid

4-fluorobenzoyl chloride

4-Fluorobenzoic acid

isonipecotic acid methyl ester

Downstream raw materials:

N-Butyl-1-(4-fluorobenzoyl)piperidine-4-carboxamide

1-(4-Fluorobenzoyl)-4-(2-oxohexyl)piperidine

1-(4-Fluorobenzoyl)-4-(1-oxoethyl)piperidine