1,3,5-Triisopropylhexahydro-1,3,5-triazine
[CAS# 10556-98-6]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Triazines
• Name: 1,3,5-Triisopropylhexahydro-1,3,5-triazine
• Synonyms: 1,3,5-Triisopropyl-1,3,5-triazacyclohexane; Hexahydro-1,3,5-triisopropyltriazine; 1,3,5-Triisopropylhexahydro-s-triazine; Hexahydro-1,3,5-triisopropyl-1,3,5-triazine; Hexahydro-1,3,5-triisopropyl-s-triazine
• Molecular Formula: C₁₂H₂₇N₃
• Molecular Weight: 213.36
• CAS Registry Number: 10556-98-6
• EC Number: 234-142-1
• SMILES: CC(C)N1CN(CN(C1)C(C)C)C(C)C

Properties

• Density: 0.9±0.1 g/cm³, Calc.^*, 0.904 g/mL
• Index of Refraction: 1.472, Calc.^*
• Boiling Point: 249.6±8.0 °C (760 mmHg), Calc.^*
• Flash Point: 94.8±9.7 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H312-H332
• Safety Statements: P261-P264-P270-P271-P280-P301+P317-P302+P352-P304+P340-P317-P321-P330-P362+P364-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	4	H302

Discovery and Applications

1,3,5-Triisopropylhexahydro-1,3,5-triazine, commonly referred to as TIPT, is a cyclic organic compound characterized by a six-membered ring containing three nitrogen atoms and three carbon atoms. The compound's molecular formula is C12H24N3, and it exhibits a unique structure that contributes to its diverse applications in various fields, particularly in the synthesis of pharmaceuticals and agrochemicals.

The discovery of 1,3,5-triisopropylhexahydro-1,3,5-triazine is attributed to the ongoing exploration of triazine derivatives in the mid-20th century. Researchers were investigating the properties and reactivity of triazine compounds due to their significance in medicinal chemistry and material science. The synthesis of TIPT can be achieved through several routes, including the condensation of isopropyl amine with hexahydro-1,3,5-triazine. This reaction highlights the compound's versatility in synthetic organic chemistry.

One of the prominent applications of 1,3,5-triisopropylhexahydro-1,3,5-triazine is in the field of pharmaceuticals. The compound serves as an important building block in the synthesis of various pharmaceutical intermediates. Its unique triazine ring structure allows it to participate in a range of chemical reactions, including nucleophilic substitutions and cycloadditions. These reactions are vital for constructing complex molecular architectures found in active pharmaceutical ingredients (APIs). The ability to modify the triazine ring further enhances its potential in drug discovery and development.

In addition to its applications in pharmaceuticals, TIPT is also utilized in the agrochemical industry. The compound acts as an intermediate in the synthesis of herbicides and pesticides, which are essential for modern agriculture. By incorporating the triazine moiety, researchers can enhance the biological activity of agrochemical formulations, resulting in more effective crop protection agents. This application of TIPT contributes to improving agricultural productivity and sustainability.

Furthermore, 1,3,5-triisopropylhexahydro-1,3,5-triazine is being explored for its potential in materials science. Its structure enables it to act as a stabilizer in polymer systems, where it can enhance thermal and mechanical properties. The incorporation of TIPT into polymer matrices can improve the performance of materials used in various applications, including coatings, adhesives, and composites. This capability positions TIPT as a valuable additive in the development of high-performance materials.

The industrial production of 1,3,5-triisopropylhexahydro-1,3,5-triazine involves careful control of reaction conditions to ensure optimal yield and purity. As with many organic compounds, safety measures are paramount during the handling of TIPT, as exposure can lead to health hazards. Proper laboratory practices and personal protective equipment are essential to mitigate risks associated with the use of this compound.

In conclusion, 1,3,5-triisopropylhexahydro-1,3,5-triazine is a versatile compound with significant applications in pharmaceuticals, agrochemicals, and materials science. Its unique structure and reactivity allow it to serve as an essential building block in the synthesis of complex molecules, contributing to advancements in drug development and agricultural practices. As research continues to explore the potential of TIPT, its role in innovative applications across various industries is expected to grow.

References

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