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Thiotepa

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Identification
Molecular formula
C6H12N3OPS
CAS number
52-24-4
IUPAC name
3-(aziridin-1-yl)-2,4-diaza-3lambda5-phosphatricyclo[7.3.1.05,13]tridecane 3-oxide
State
State

Under standard conditions, thiotepa is a solid. At room temperature, it remains as a crystalline solid, but it readily dissolves in water to form a solution. This makes it suitable for formulation into injectable or other liquid forms for pharmaceutical or laboratory use.

Melting point (Celsius)
52.00
Melting point (Kelvin)
325.00
Boiling point (Celsius)
279.00
Boiling point (Kelvin)
552.00
General information
Molecular weight
189.22g/mol
Molar mass
189.2190g/mol
Density
1.3000g/cm3
Appearence

Thiotepa is a crystalline solid that is typically encountered as a colorless or slightly yellow powder. It is highly soluble in water and polar organic solvents, allowing it to be used effectively in various applications. The compound is stable under standard conditions but should be protected from light and moisture to maintain its potency.

Comment on solubility

Solubility of 3-(aziridin-1-yl)-2,4-diaza-3λ5-phosphatricyclo[7.3.1.05,13]tridecane 3-oxide

The solubility of 3-(aziridin-1-yl)-2,4-diaza-3λ5-phosphatricyclo[7.3.1.05,13]tridecane 3-oxide can primarily be influenced by several factors, such as its molecular structure and the presence of functional groups. Generally, compounds with highly polar functional groups are expected to have better solubility in polar solvents. In contrast, hydrophobic regions may lead to decreased solubility.

Key points regarding its solubility include:

  • Polarity: As 3-(aziridin-1-yl)-2,4-diaza-3λ5-phosphatricyclo[7.3.1.05,13]tridecane 3-oxide has both nitrogen and oxygen atoms, it tends to exhibit polar characteristics.
  • Solvent Compatibility: The potential for solubility in water or organic solvents will depend on the balance of hydrophilic and hydrophobic segments within the molecule.
  • Hydrogen Bonding: The presence of nitrogen and oxygen allows the molecule to engage in hydrogen bonding, further influencing solubility in polar solvents.

As a practical approach, it is often important to experimentally determine the solubility in various solvents to understand its behavior fully. If you find yourself needing to dissolve this compound, consider using aprotic solvents or mixtures that may enhance its solubility due to their ability to interact with its unique structural features.

Interesting facts

3-(Aziridin-1-yl)-2,4-diaza-3λ5-phosphatricyclo[7.3.1.05,13]-tridecane 3-oxide: Fascinating Insights

This compound, known for its complex structure and unique properties, offers a wealth of interesting characteristics that capture the attention of chemists and researchers alike. Here are some key highlights:

  • Complex Molecular Structure: The presence of aziridine highlights its connection to ring systems, which can greatly influence chemical behavior and reactivity.
  • Phosphorus Chemistry: As a phosphatricyclo compound, it introduces phosphorus into a polycyclic framework, providing insight into the role of phosphorus in organic chemistry.
  • Potential Biological Activity: Compounds of this nature often exhibit biological relevance, with potential applications in pharmaceuticals and materials science. Researchers are continuously exploring their efficacy and safety.
  • Synthetic Challenges: The synthesis of such a compound poses intricate challenges, making it a valuable learning tool in synthetic organic chemistry, particularly in understanding ring-closing reactions and the stability of nitrogen-containing heterocycles.
  • Tool for Research: This compound serves as an interesting research subject for studying the effects of nitrogen and phosphorus atoms in molecular structures, especially in exploring new reaction pathways and mechanisms.

In summary, 3-(aziridin-1-yl)-2,4-diaza-3λ5-phosphatricyclo[7.3.1.05,13]-tridecane 3-oxide stands out due to its intricate design and potential utility. As we delve deeper into its study, we may uncover even more applications and theoretical insights into the realm of chemical science.

Synonyms
2-(1-Aziridinyl)-dodecahydronaphtho(1,8-de)-1,3,2-diazaphosphorine 2-oxide
512-32-3
1H-NAPHTHO(1,8-de)-1,3,2-DIAZAPHOSPHORINE, 2-(1-AZIRIDINYL)DODECAHYDRO-, 2-OXIDE
1H-Naphtho[1,8-de]-1,3,2-diazaphosphorine, 2-(1-aziridinyl)dodecahydro-, 2-oxide
Dipierino-phosphoric acid ethylenimine
2-(1-Aziridinyl)dodecahydro-1H-naphtho(1,8-de)-1,3,2-diazaphosphorine 2-oxide
62QM7F8LKJ
DTXSID20965465
2-(Aziridin-1-yl)dodecahydro-1H-2lambda~5~-naphtho[1,8-de][1,3,2]diazaphosphinin-2-one