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Methanesulfonic acid [3-(4-piperazin-1-ylbutanoyl)propyl] ester

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Identification
Molecular formula
C11H21N2O7S2
CAS number
135242-81-4
IUPAC name
[3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate
State
State

The compound is solid at room temperature and is often used in the form of a crystalline powder.

Melting point (Celsius)
112.00
Melting point (Kelvin)
385.15
Boiling point (Celsius)
97.40
Boiling point (Kelvin)
370.55
General information
Molecular weight
341.42g/mol
Molar mass
341.4100g/mol
Density
1.3700g/cm3
Appearence

The compound is typically a white to off-white crystalline powder.

Comment on solubility

Solubility of [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate

The solubility of [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate can be characterized by several factors:

  • Polarity: This compound features methanesulfonate groups which enhance its polar characteristics, leading to increased solubility in polar solvents such as water.
  • Hydrogen Bonding: The presence of piperazine and sulfonate groups can lead to strong hydrogen bonding with water molecules, promoting better solvation.
  • Solvent Choice: While it may be soluble in water, the solubility can vary greatly in organic solvents. Therefore, it's recommended to test solubility in various solvents, including:
    • Dimethyl sulfoxide (DMSO)
    • Acetonitrile
    • Alcohols (like ethanol)

It’s important to note the significance of temperature when assessing solubility; as temperature increases, so does the solubility of many compounds. Moreover, the influence of ionic strength and pH of the solvent can greatly affect the solubility of this specific compound.

In summary, examining the solubility properties of [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate requires a thorough understanding of polarity, hydrogen bonding interactions, and the nature of the solvent.

Interesting facts

Interesting Facts about [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate

This compound, which is a complex organic molecule, belongs to the class of sulfonate esters. Its structural configuration is noteworthy and highlights the versatility of organic chemistry in designing molecules for specific functions. Here are some remarkable aspects of this compound:

  • Pharmaceutical Significance: Compounds like this are often investigated for their potential use in pharmaceuticals, especially in the development of drug candidates. The intricate structures can lead to unique biological activities and effects.
  • Functional Group Diversity: This compound showcases a rich array of functional groups including piperazine and sulfonate moieties, which are known for their ability to enhance solubility and biological activity.
  • Synthesis and Application: The synthesis of such complexity can involve multiple reaction steps, including esterification and nucleophilic substitutions, which are fundamental techniques in organic synthesis.
  • Potential Therapeutic Use: Research into this compound may reveal exciting therapeutic potentials in areas such as neurology or oncology, pointing to how small changes in molecular architecture can lead to significant shifts in pharmacological properties.
  • Interdisciplinary Research: The study of this compound requires an interdisciplinary approach that incorporates elements of medicinal chemistry, biochemistry, and materials science, making it a rich topic for research and discovery.

Overall, the intricate design and functional capabilities of [3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate illuminate the profound relationship between molecular structure and function. As scientists continue to explore such compounds, the potential impacts on health and technology are vast and exciting.

Synonyms
PIPOSULFAN
2608-24-4
Ancyte
Piposulfano
A-20968
1,4-Dihydracryloylpiperazine dimethanesulfonate (ester)
VY5DPN1TDU
NSC-47774
A-20968; Ancyte
Piperazine, 1,4-bis(3-((methylsulfonyl)oxy)-1-oxopropyl)-
1,4-Dihydracryloylpiperazine, dimethanesulfonate
A 20968
N,N'-Bis(3-methanesulfonyloxypropionyl)piperazine
NSC47774
Piperazine, 1,4-dihydracryloyl-, dimethanesulfonate
[3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxopropyl] methanesulfonate
Piperazine, 1,4-bis(3-hydroxypropionyl)-, dimethanesulfonate
Piperazine, 1,4-dihydracryloyl-, dimethanesulfonate (ester)
Piposulfanum
UNII-VY5DPN1TDU
Piposulfan [USAN:INN]
Piposulfanum [INN-Latin]
Piposulfano [INN-Spanish]
Ancyte (TN)
NSC 47774
PIPOSULFAN [MI]
AI3-50115
PIPOSULFAN [INN]
Piposulfan (USAN/INN)
PIPOSULFAN [USAN]
SCHEMBL4636
CHEMBL472696
DTXSID80180713
CHEBI:135606
AKOS040749212
DA-59959
HY-120220
CS-0077226
NS00123879
D05487
Piperazine,4-dihydracryloyl-, dimethanesulfonate
N, N'-Bis(3-methanesulfonyloxypropionyl)piperazine
Q27292091
1,4-bis(3-((methylsulfonyl)oxy)-1-oxopropyl)piperazine
Piperazine,4-bis[3-[(methylsulfonyl)oxy]-1-oxopropyl]-
Piperazine,4-dihydracryloyl-, dimethanesulfonate (ester)
Piperazine,4-bis(3-hydroxypropionyl)-, dimethanesulfonate
1,4-DIHYDRACRYLOYLPIPERAZINE DIMETHANESULPHONATE (ESTER)
Piperazine, {1,4-bis[3-[(methylsulfonyl)oxy]-1-oxopropyl]-}
1-Propanone,1,1'-(1,4-piperazinediyl)bis[3-[(methylsulfonyl)oxy]-
[3-[4-(3-methylsulfonyloxypropanoyl)piperazin-1-yl]-3-oxo-propyl] methanesulfonate
3-(4-(3-((Methylsulfonyl)oxy)propanoyl)-1-piperazinyl)-3-oxopropyl methanesulfonate