Tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
• CAS No.: 160296-40-2
• Molecular Formula: C17H22FNO3
• Molecular Weight: 307.365
• Hs Code.: 2933399090
• European Community (EC) Number: 692-311-9
• DSSTox Substance ID: DTXSID50426852
• Wikidata: Q72503172
• Mol file: 160296-40-2.mol

Synonyms:tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate;160296-40-2;1-Boc-4-(4-Fluorobenzoyl)piperidine;1-Boc-4-(4-fluoro-benzoyl)-piperidine;tert-butyl4-(4-fluorobenzoyl)piperidine-1-carboxylate;tert-Butyl 4-(4-fluorobenzoyl)-piperidine-1-carboxylate;SCHEMBL228921;DTXSID50426852;ARCRECZRQVSYIP-UHFFFAOYSA-N;AMY15429;4-(4-Fluoro-benzoyl)-piperidine-1-carboxylic acid tert-butyl ester;MFCD04114990;AKOS001385876;AB19404;AS-5321;CS-W001458;FT-0646938;EN300-26814;4-(4-fluorobenzoyl)-N-t-butoxycarbonylpiperidine;4-(4-fluorobenzoyl)-N-t-butoxylcarbonylpiperidine;A810131;1-(t-Butoxycarbonyl)-4-(4-fluorobenzoyl)piperidine;W-205857;Z234855600;4-(4-fluorobenzoyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;1-BOC-4-(4-FLUOROBENZOYL)PIPERIDINE

Chemical Property of Tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 6.03E-07mmHg at 25°C
• Melting Point: 89 °C
• Refractive Index: 1.521
• Boiling Point: 410.4 °C at 760 mmHg
• PKA: -2.43±0.40(Predicted)
• Flash Point: 202 °C
• PSA: 46.61000
• Density: 1.155g/cm³
• LogP: 3.59340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 307.15837173
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Fluoro-benzoyl)-piperidine-1-carboxylicacidtert-butylester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F

Technology Process of Tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

There total 11 articles about Tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(4-fluorobenzoyl)piperidine hydrochloride (25519-78-2) → tert-butyl 1-[4-(4-fluorobenzoyl)piperidin-1-yl]carboxylate (160296-40-2)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 0 ℃; for 0.5 - 2h;

Reference yield: 99.0%

4-(4-fluorobenzoyl)-piperidine p-toluenesulfonate (132442-43-4) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 1-[4-(4-fluorobenzoyl)piperidin-1-yl]carboxylate (160296-40-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

Reference yield: 83.0%

(4-fluorophenyl)-piperidin-4-ylmethanone (56346-57-7) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 1-[4-(4-fluorobenzoyl)piperidin-1-yl]carboxylate (160296-40-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jm950894b

upstream raw materials:

(4-fluorophenyl)-piperidin-4-ylmethanone

di-tert-butyl dicarbonate

4-(4-fluorobenzoyl)piperidine hydrochloride

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

Downstream raw materials:

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate

ethyl 4-(4-(4-fluorobenzoyl)piperidin-1-yl)butanoate

4-[(4-fluorophenyl)phenylmethylene]piperidine

(4-fluorophenyl)-piperidin-4-ylmethanone

Refernces

• 1、 Sander, Kerstin,Galante, Eva,Gendron, Thibault,Yiannaki, Elena,Patel, Niral,Kalber, Tammy L.,Badar, Adam,Robson, Mathew,Johnson, Sean P.,Bauer, Florian,Mairinger, Severin,Stanek, Johann,Wanek, Thomas,Kuntner, Claudia,Kottke, Tim,Weizel, Lilia,Dickens, David,Erlandsson, Kjell,Hutton, Brian F.,Lythgoe, Mark F.,Stark, Holger,Langer, Oliver,Koepp, Matthias,?rstad, Erik. "Development of Fluorine-18 Labeled Metabolically Activated Tracers for Imaging of Drug Efflux Transporters with Positron Emission Tomography". . p. 6058 - 6080. Retrieved 2015/08/24.
• 2、 Uto, Yoshikazu,Ogata, Tsuneaki,Kiyotsuka, Yohei,Ueno, Yuko,Miyazawa, Yuriko,Kurata, Hitoshi,Deguchi, Tsuneo,Watanabe, Nobuaki,Konishi, Masahiro,Okuyama, Ryo,Kurikawa, Nobuya,Takagi, Toshiyuki,Wakimoto, Satoko,Ohsumi, Jun. "Novel benzoylpiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxylic acid (2-hydroxy-2-pyridin-3-ylethyl)amide and its plasma triglyceride-lowering effects in Zucker fatty rats". scheme or table. p. 341 - 345. Retrieved 2010/04/05.