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Piperazin-1-yl-thiophen-3-yl-methanone is a chemical compound characterized by the molecular formula C12H14N2OS. It features a piperazine ring, a thiophene ring, and a methanone group, which together contribute to its unique chemical properties. Piperazin-1-yl-thiophen-3-yl-methanone is widely recognized in medicinal chemistry for its role in the synthesis of pharmaceuticals and drug candidates. Its ability to interact with various biological targets makes it a promising candidate for treating a range of medical conditions. Piperazin-1-yl-thiophen-3-yl-methanone has also been investigated for its potential as an antipsychotic and anxiolytic agent, highlighting its significance in drug discovery and development.

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  • 59939-74-1 Structure
  • Basic information

    1. Product Name: Piperazin-1-yl-thiophen-3-yl-methanone
    2. Synonyms: PIPERAZIN-1-YL-THIOPHEN-3-YL-METHANONE;1-(3-Thienylcarbonyl)piperazine HCl
    3. CAS NO:59939-74-1
    4. Molecular Formula: C9H12N2OS
    5. Molecular Weight: 196.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 59939-74-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 352.972 °C at 760 mmHg
    3. Flash Point: 167.272 °C
    4. Appearance: /
    5. Density: 1.226 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.582
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Piperazin-1-yl-thiophen-3-yl-methanone(CAS DataBase Reference)
    11. NIST Chemistry Reference: Piperazin-1-yl-thiophen-3-yl-methanone(59939-74-1)
    12. EPA Substance Registry System: Piperazin-1-yl-thiophen-3-yl-methanone(59939-74-1)
  • 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: 59939-74-1(Hazardous Substances Data)

59939-74-1 Usage

Uses

Used in Pharmaceutical Synthesis:
Piperazin-1-yl-thiophen-3-yl-methanone is utilized as a key intermediate in the synthesis of various pharmaceuticals and drug candidates. Its unique structure allows it to be incorporated into a wide range of molecules, enhancing their therapeutic properties and targeting specific biological pathways.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, Piperazin-1-yl-thiophen-3-yl-methanone is employed as a valuable research tool. Its ability to interact with biological targets makes it an ideal candidate for studying the mechanisms of action of potential drugs and understanding the molecular basis of various diseases.
Used in the Development of Antipsychotic Agents:
Piperazin-1-yl-thiophen-3-yl-methanone has been studied for its potential as an antipsychotic agent. Its interaction with specific biological targets in the brain may help alleviate symptoms associated with psychotic disorders, offering a new avenue for the development of more effective treatments.
Used in the Development of Anxiolytic Agents:
Additionally, Piperazin-1-yl-thiophen-3-yl-methanone has been investigated for its potential as an anxiolytic agent. Its ability to modulate the activity of certain neurotransmitter systems may help reduce anxiety levels and provide relief for individuals suffering from anxiety disorders.
Used in Drug Discovery:
In the broader context of drug discovery, Piperazin-1-yl-thiophen-3-yl-methanone serves as a crucial compound for the identification and development of novel therapeutic agents. Its unique chemical properties and potential applications in various medical conditions make it an important asset in the search for new and effective treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 59939-74-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,9,3 and 9 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 59939-74:
(7*5)+(6*9)+(5*9)+(4*3)+(3*9)+(2*7)+(1*4)=191
191 % 10 = 1
So 59939-74-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H12N2OS/c12-9(8-1-6-13-7-8)11-4-2-10-3-5-11/h1,6-7,10H,2-5H2

59939-74-1SDS

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 piperazin-1-yl(thiophen-3-yl)methanone

1.2 Other means of identification

Product number -
Other names Methanone,1-piperazinyl-3-thienyl

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:59939-74-1 SDS

59939-74-1Downstream Products

59939-74-1Relevant articles and documents

Efficient monoacylation of symmetrical secondary alkanediamines and synthesis of unsymmetrical diacylated alkanediamines. A new L-proline-based organocatalyst

Moulat, Laure,Martinez, Jean,Salom-Roig, Xavier J.

, p. 336 - 349 (2020/02/13)

A simple procedure was developed for the monoacylation of several unprotected alkanediamines with carboxylic acids by using PyBOP-HOBt as coupling agent in the presence of DIEA at room temperature. Yields were moderate with primary alkanediamines and good to excellent with linear or cyclic secondary ones. To illustrate the utility of these monoacylated products, six unsymmetrical diacylated alkanediamines were synthesized. In addition, one of these compounds was evaluated as organocatalyst in an asymmetric aldol reaction. R' R' NHR O R N O R N PyBOP, HOBt PyBOP, HOBt DIEA, DMF DIEA, DMF NHR NHR O N O 10 equiv O R 11 exemples R' R = H, alkyl R'' OH 67-95% yield R'' OH 6 exemples

Synthesis and biological evaluation of substituted 4-(thiophen-2-ylmethyl)- 2H-phthalazin-1-ones as potent PARP-1 inhibitors

Wang, Ling-Xiao,Zhou, Xin-Bo,Xiao, Meng-Liang,Jiang, Ning,Liu, Feng,Zhou, Wen-Xia,Wang, Xiao-Kui,Zheng, Zhi-Bing,Li, Song

, p. 3739 - 3743 (2014/09/17)

We have developed a series of substituted 4-(thiophen-2-ylmethyl)-2H- phthalazin-1-ones as potent PARP-1 inhibitors. Preliminary biological evaluation indicated that most compounds possessed inhibitory potencies comparable to, or higher than AZD-2281. Among these compounds, 18q appeared to be the most notable one, which displayed an 8-fold improvement in enzymatic activity compared to AZD-2281. These efforts lay the foundation for our further investigation.

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