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

Base Information

• Chemical Name: 1-(4-Chlorobenzoyl)piperidine-4-carboxylic acid
• CAS No.: 379724-54-6
• Molecular Formula: C13H14ClNO3
• Molecular Weight: 267.708160
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80353324
• Wikidata: Q82130831
• ChEMBL ID: CHEMBL1309745
• Mol file: 379724-54-6.mol

Synonyms:379724-54-6;1-(4-chlorobenzoyl)piperidine-4-carboxylic acid;1-(4-chlorobenzoyl)-4-piperidinecarboxylic acid;MLS000568435;SMR000154557;Oprea1_506771;cid_738125;SCHEMBL1534281;CHEMBL1309745;BDBM94111;1-[(4-chlorophenyl)carbonyl]piperidine-4-carboxylic acid;DTXSID80353324;FGLQAKJRFPNIJT-UHFFFAOYSA-N;HMS1765K17;HMS2294I12;MFCD03014156;STK502153;1-(4-chlorobenzoyl)isonipecotic acid;AKOS000112162;MB02555;BB 0238628;CS-0307721;FT-0679564;EN300-05686;8X-0706;SR-01000032449;1-(4-Chloro-benzoyl)-piperidine-4-carboxylic acid;J-503266;SR-01000032449-1;1-(4-chlorophenyl)carbonylpiperidine-4-carboxylic acid;Z56826951;1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid

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

Chemical Property:

• Vapor Pressure: 6E-10mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 478.1 °C at 760 mmHg
• Flash Point: 242.9 °C
• PSA: 57.61000
• Density: 1.347 g/cm³
• LogP: 2.21470
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 267.0662210
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

99.3% ^*data from raw suppliers

1-(4-Chlorobenzoyl)-4-piperidinecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 1-(4-Chlorobenzoyl)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:

isonipecotic acid (498-94-2) + 4-chloro-benzoyl chloride (122-01-0) → 1-(4-chlorobenzoyl)piperidine-4-carboxylic acid (379724-54-6)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃;

DOI:10.1016/j.bmcl.2009.11.056

Reference yield: 80.0%

1-(4-chlorobenzoyl)piperidine-4-carboxylic acid (379724-54-6) + Grushin’s reagent (1680206-12-5) → (4-chlorophenyl)(4-(trifluoromethyl)piperidin-1-yl)methanone

Guidance literature:

Grushin’s reagent; With dimethyl zinc(II); In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

1-(4-chlorobenzoyl)piperidine-4-carboxylic acid; With dipotassium peroxodisulfate; silver nitrate; In water; acetonitrile; at 40 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.7b07944

Reference yield: 60.0%

1-(4-chlorobenzoyl)piperidine-4-carboxylic acid (379724-54-6) → (4-chlorophenyl)(4-fluoropiperidin-1-yl)methanone (1383116-07-1)

Guidance literature:

With silver nitrate; Selectfluor; In water; acetone; at 45 ℃; for 10h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/ja3048255

upstream raw materials:

isonipecotic acid

4-chloro-benzoyl chloride

Downstream raw materials:

C₂₁H₁₇ClF₆N₂O₂

(4-chlorophenyl)(4-fluoropiperidin-1-yl)methanone

Refernces