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1-(4-Fluorobenzyl)piperazin-2-one, also known as 2-Piperazinone, 1-(4-fluorobenzyl)-, is a chemical compound with the molecular formula C14H15FN2O. It is a piperazinone derivative and belongs to the class of organic compounds known as piperazinones. 1-(4-FLUOROBENZYL)PIPERAZIN-2-ONE is a potential intermediate in the synthesis of organic compounds and pharmaceuticals. Known for its pharmacological activities, its structure and properties make it a valuable building block for organic synthesis. Additionally, it has potential applications in the field of medicinal chemistry due to its unique structure and properties.

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  • 309915-37-5 Structure
  • Basic information

    1. Product Name: 1-(4-FLUOROBENZYL)PIPERAZIN-2-ONE
    2. Synonyms: 1-(4-FLUOROBENZYL)PIPERAZIN-2-ONE;1-(4-fluorobenzyl)piperazin-2-one(SALTDATA: HCl)
    3. CAS NO:309915-37-5
    4. Molecular Formula: C11H13FN2O
    5. Molecular Weight: 208.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 309915-37-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 385.6°C at 760 mmHg
    3. Flash Point: 187°C
    4. Appearance: /
    5. Density: 1.206g/cm3
    6. Vapor Pressure: 3.75E-06mmHg at 25°C
    7. Refractive Index: 1.546
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 7.65±0.20(Predicted)
    11. CAS DataBase Reference: 1-(4-FLUOROBENZYL)PIPERAZIN-2-ONE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-(4-FLUOROBENZYL)PIPERAZIN-2-ONE(309915-37-5)
    13. EPA Substance Registry System: 1-(4-FLUOROBENZYL)PIPERAZIN-2-ONE(309915-37-5)
  • 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: 309915-37-5(Hazardous Substances Data)

309915-37-5 Usage

Uses

Used in Pharmaceutical Synthesis:
1-(4-Fluorobenzyl)piperazin-2-one is used as an intermediate in the synthesis of pharmaceuticals for its potential to contribute to the development of new drugs. Its unique structure allows it to be a key component in creating molecules with specific therapeutic effects.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(4-Fluorobenzyl)piperazin-2-one is used as a building block to construct more complex organic molecules. Its versatility in chemical reactions makes it a valuable asset for creating a wide range of organic compounds.
Used in Medicinal Chemistry:
1-(4-Fluorobenzyl)piperazin-2-one is utilized in medicinal chemistry for its pharmacological activities. Its unique structure and properties make it a promising candidate for the development of new therapeutic agents, potentially leading to advancements in treatment options for various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 309915-37-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,0,9,9,1 and 5 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 309915-37:
(8*3)+(7*0)+(6*9)+(5*9)+(4*1)+(3*5)+(2*3)+(1*7)=155
155 % 10 = 5
So 309915-37-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H13FN2O/c12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15/h1-4,13H,5-8H2

309915-37-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(4-fluorophenyl)methyl]piperazin-2-one

1.2 Other means of identification

Product number -
Other names -

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:309915-37-5 SDS

309915-37-5Relevant articles and documents

Design, synthesis and evaluation against Mycobacterium tuberculosis of azole piperazine derivatives as dicyclotyrosine (cYY) mimics

El-wahab, Hend A.A. Abd,Accietto, Mauro,Marino, Leonardo B.,McLean, Kirsty J.,Levy, Colin W.,Abdel-Rahman, Hamdy M.,El-Gendy, Mahmoud A.,Munro, Andrew W.,Aboraia, Ahmed S.,Simons, Claire

, p. 161 - 176 (2017/11/29)

Three series of azole piperazine derivatives that mimic dicyclotyrosine (cYY), the natural substrate of the essential Mycobacterium tuberculosis cytochrome P450 CYP121A1, were prepared and evaluated for binding affinity and inhibitory activity (MIC) against M. tuberculosis. Series A replaces one phenol group of cYY with a C3-imidazole moiety, series B includes a keto group on the hydrocarbon chain preceding the series A imidazole, whilst series C explores replacing the keto group of the piperidone ring of cYY with a CH2-imidazole or CH2-triazole moiety to enhance binding interaction with the heme of CYP121A1. The series displayed moderate to weak type II binding affinity for CYP121A1, with the exception of series B 10a, which displayed mixed type I binding. Of the three series, series C imidazole derivatives showed the best, although modest, inhibitory activity against M. tuberculosis (17d MIC = 12.5 μg/mL, 17a 50 μg/mL). Crystal structures were determined for CYP121A1 bound to series A compounds 6a and 6b that show the imidazole groups positioned directly above the haem iron with binding between the haem iron and imidazole nitrogen of both compounds at a distance of 2.2 ?. A model generated from a 1.5 ? crystal structure of CYP121A1 in complex with compound 10a showed different binding modes in agreement with the heterogeneous binding observed. Although the crystal structures of 6a and 6b would indicate binding with CYP121A1, the binding assays themselves did not allow confirmation of CYP121A1 as the target.

8-Hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazine-1(2H)-one HIV-1 integrase inhibitors

Fisher, Thorsten E.,Kim, Boyoung,Staas, Donnette D.,Lyle, Terry A.,Young, Steven D.,Vacca, Joseph P.,Zrada, Matthew M.,Hazuda, Daria J.,Felock, Peter J.,Schleif, William A.,Gabryelski, Lori J.,Anari, M. Reza,Kochansky, Christopher J.,Wai, John S.

, p. 6511 - 6515 (2008/04/03)

A series of potent novel 8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazine-1(2H)-one HIV-1 integrase inhibitors was identified. These compounds inhibited the strand transfer process of HIV-1 integrase and viral replication in cells. Compound 12 is active agains

HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS

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Page/Page column 76, (2010/02/11)

Hydroxy-substituted pyridopyrrolopyrazine dione compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the dione compounds are of Formula (I): (I) wherein a, b, A, B, R1, R2, R3, R4, R5, R6, R7 and R8 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

HIV INTEGRASE INHIBITORS

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Page/Page column 52, (2010/02/14)

Bicyclic uracils and related compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the compounds are of Formula (I) wherein a, b, Y, R1, R2, R3 and R4 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

HIV INTEGRASE INHIBITORS

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Page/Page column 66, (2008/06/13)

Hydroxy-substituted pyrazinopyrrolopyridazine dione compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the dione compounds are of Formula (I) wherein R1, R2, R3, R4, R5, R6 and R7 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

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