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TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE, a chemical compound with the molecular formula C20H26FNO3, is a member of the piperidine carboxylate family. It is characterized by its piperidine ring and carboxylate group, with a tert-butyl group attached to the piperidine ring, providing stability and protection to the molecule. This makes it a valuable intermediate in chemical reactions and a promising candidate in the field of medicinal chemistry.

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  • 160296-40-2 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE
    2. Synonyms: 1-BOC-4-(4-FLUORO-BENZOYL)-PIPERIDINE;BIO-FARMA BF002994;TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE;1-tert-Butoxycarbonyl-4-(4-fluorobenzoyl)piperidine;4-(4-Fluorobenzoyl)piperidine-1-carboxylic acid tert-butyl ester
    3. CAS NO:160296-40-2
    4. Molecular Formula: C17H22FNO3
    5. Molecular Weight: 307.36
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 160296-40-2.mol
  • Chemical Properties

    1. Melting Point: 89 °C
    2. Boiling Point: 410.4 °C at 760 mmHg
    3. Flash Point: 202 °C
    4. Appearance: /
    5. Density: 1.155g/cm3
    6. Vapor Pressure: 6.03E-07mmHg at 25°C
    7. Refractive Index: 1.521
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: -2.43±0.40(Predicted)
    11. CAS DataBase Reference: TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE(160296-40-2)
    13. EPA Substance Registry System: TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE(160296-40-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 160296-40-2(Hazardous Substances Data)

160296-40-2 Usage

Uses

Used in Pharmaceutical Production:
TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE is used as a building block in the production of pharmaceuticals for its potential applications in medicinal chemistry. Its unique structure allows it to be a key component in the synthesis of various organic compounds with therapeutic properties.
Used in Organic Synthesis:
In the field of organic synthesis, TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE is used as an important intermediate due to its ability to participate in a wide range of chemical reactions. Its presence in the synthesis process can lead to the creation of new compounds with diverse applications.
Used in Medicinal Chemistry Research:
TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE is used as a research compound in medicinal chemistry to explore its potential applications in drug discovery and development. Its unique structure and functional groups make it a valuable tool for studying the interactions between molecules and their biological targets.
It is crucial to handle and store TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE in accordance with safety guidelines and regulatory standards to ensure the safety of researchers and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 160296-40-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,0,2,9 and 6 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 160296-40:
(8*1)+(7*6)+(6*0)+(5*2)+(4*9)+(3*6)+(2*4)+(1*0)=122
122 % 10 = 2
So 160296-40-2 is a valid CAS Registry Number.
InChI:InChI=1/C17H22FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3

160296-40-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names TERT-BUTYL 4-(4-FLUOROBENZOYL)PIPERIDINE-1-CARBOXYLATE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:160296-40-2 SDS

160296-40-2Relevant articles and documents

NEW HETEROCYCLIC COMPOUNDS

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, (2019/06/17)

The invention provides new heterocyclic compounds having the general formula (IA) wherein A, L, X, Y, m, n, R1 and R2 are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.

Development of Fluorine-18 Labeled Metabolically Activated Tracers for Imaging of Drug Efflux Transporters with Positron Emission Tomography

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

, p. 6058 - 6080 (2015/08/24)

Increased activity of efflux transporters, e.g., P-glycoprotein (P-gp) and breast cancer resistance protein (BCRP), at the blood-brain barrier is a pathological hallmark of many neurological diseases, and the resulting multiple drug resistance represents a major clinical challenge. Noninvasive imaging of transporter activity can help to clarify the underlying mechanisms of drug resistance and facilitate diagnosis, patient stratification, and treatment monitoring. We have developed a metabolically activated radiotracer for functional imaging of P-gp/BCRP activity with positron emission tomography (PET). In preclinical studies, the tracer showed excellent initial brain uptake and clean conversion to the desired metabolite, although at a sluggish rate. Blocking with P-gp/BCRP modulators led to increased levels of brain radioactivity; however, dynamic PET did not show differential clearance rates between treatment and control groups. Our results provide proof-of-concept for development of prodrug tracers for imaging of P-gp/BCRP function in vivo but also highlight some challenges associated with this strategy.

Synthesis, evaluation and metabolic studies of radiotracers containing a 4-(4-[18F]-fluorobenzyl)piperidin-1-yl moiety for the PET imaging of NR2B NMDA receptors

Labas, Romain,Gilbert, Gwéna?lle,Nicole, Olivier,Dhilly, Martine,Abbas, Ahmed,Tirel, Olivier,Buisson, Alain,Henry, Jo?l,Barré, Louisa,Debruyne, Danièle,Sobrio, Franck

experimental part, p. 2295 - 2309 (2011/06/21)

In this study, novel specific PET radioligands containing the 4-(4-fluorobenzyl)piperidine moiety and selectively antagonistic for the NR2B subunit containing NMDA receptors were developed. Two antagonists, RGH-896 (1a) and 4-(4-fluorobenzyl)piperidinyl-1

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

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

scheme or table, p. 341 - 345 (2010/04/05)

Starting from a known piperazine-based SCD-1 inhibitor, we obtained more potent benzoylpiperidine analogs. Optimization of the structure of the benzoylpiperidine-based SCD-1 inhibitors resulted in the identification of 6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxylic acid (2-hydroxy-2-pyridin-3-yl-ethyl)amide (24) which showed strong inhibitory activity against both human and murine SCD-1. In addition, this compound exhibited good oral bioavailability and demonstrated plasma triglyceride lowering effects in Zucker fatty rats in a dose-dependent manner after a 7-day oral administration (qd).

OXIME COMPOUNDS AND THE USE THEREOF

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Page/Page column 362, (2008/06/13)

The invention relates to oxime compounds of Formula (I) and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X is hydrogen, optionally substituted aryl, optionally substituted heteroaryl or the like; Y is CO, SO2, CRsu

Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors

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Page/Page column 42-43, (2010/11/28)

The present invention relates to compounds of the general formula as dual modulators of the 5-HT2a and D3 receptors useful against CNS disorders, wherein A, R1, R2, n, p, q and r are as defined in the specificat

N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS

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Page 23-24, (2010/02/06)

The present invention relates to heterocyclic derivatives of formula (1) wherein R1 represents a 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms, or R1 represents a 4,5 or 6 membered heterocyclic group, wherein saids 5 or 6 membered heteroaryl or the 4,5 or 6 membered heterocyclic group may optionally be substituted by one to three substituents, which may be the same or different, selected from (CH2)pR6, wherein p is zero or an integer from 1 to 4 and wherein R and R2- R6 are each as defined in the description and pharmaceutically acceptable salts and solvates thereof; process for their preparation and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.

1,4-DlSUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS

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Page 117-118, (2010/02/06)

The use of a compound of formula (I) in the manufacture of a medicament for use in the inhibition of 11 betaHSD1 is described.

Syntheses and Binding Studies of New [(Aryl)(aryloxy)methyl]piperidine Derivatives and Related Compounds as Potential Antidepressant Drugs with High Affinity for Serotonin (5-HT) and Norepinephrine (NE) Transporters

Orjales, Aurelio,Mosquera, Ramón,Toledo, Antonio,Pumar, M. Carmen,García, Neftalí,Cortizo, Lourdes,Labeaga, Luis,Innerárity, Ana

, p. 5512 - 5532 (2007/10/03)

In a wide search program toward new, efficient, and fast-acting antidepressant drugs, we have prepared series of new compounds having an (aryl)(aryloxy)methyl moiety linked directly or through a methylene chain to different substituted and unsubstituted cycles (isoquinoline, piperazine, piperidine, tetrahydropyran, or cyclopentane). These compounds have been evaluated for their affinities for serotonin (5-HT) transporter (SERT) and 5-HT1A and 5-HT2A receptors. Racemic mixtures of 4-[(aryl)(aryloxy)methyl]piperidine derivatives showed much higher affinity values for SERT than fluoxetine and resulted in lack of affinity for 5-HT 1A and 5-HT2A receptors. Some of these racemic mixtures were resolved to their enantiomers and tested for binding to norepinephrine (NE) transporter (NET), dopamine (DA) transporter (DAT), and α2 receptor. Several of these enantiomers [(-)-15b, (-)-15j, (-)-15t, (+)-15u] displayed a dual binding profile with affinities for SERT and NET with K i i = 1.9 and 13.5 nM, respectively), and further pharmacological characterization is in progress for its evaluation as a antidepressant.

MUSCARINIC ANTAGONISTS

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Page/Page column 26-27, (2010/02/07)

The invention described herein are compounds in accordance with formula I:. I Iwherein R1, R2, R3, R4, R5, R6, R2, R8, R9, n, X, and Z are as defined herein

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