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Prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

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Identification
Molecular formula
C9H10N2O2
CAS number
.
IUPAC name
prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
State
State

At room temperature, prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is generally in a solid state. Its structural formulation allows it to adopt a stable solid form under standard conditions of temperature and pressure.

Melting point (Celsius)
155.00
Melting point (Kelvin)
428.15
Boiling point (Celsius)
324.00
Boiling point (Kelvin)
597.15
General information
Molecular weight
180.20g/mol
Molar mass
180.1960g/mol
Density
1.5000g/cm3
Appearence

Prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate typically appears as a white solid. It may exist in crystalline form depending on the specific structural makeup and purity of the sample.

Comment on solubility

Solubility of Prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate

The solubility of prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate (C9H10N2O2) is influenced by various factors. Understanding these solubility characteristics is essential for its potential applications in pharmaceuticals and agrochemicals. Here are some key points regarding its solubility:

  • Polarity: The presence of carboxylate groups typically enhances solubility in polar solvents like water.
  • Hydrogen Bonding: Molecules that can form hydrogen bonds generally exhibit enhanced solubility in polar solvents.
  • Solvent Effects: Solubility may vary significantly depending on the solvent. For example, organic solvents might dissolve this compound better than water, potentially due to its hydrophobic regions.
  • Temperature Influence: Higher temperatures usually increase solubility, allowing more of the compound to dissolve.
  • pH Sensitivity: As a carboxylate derivative, its solubility could also be pH-dependent, predominantly in acidic or basic conditions.

In summary, the solubility of prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is influenced by its molecular structure and the nature of the solvent. This compound can be effectively utilized in chemical formulations, provided that its solubility characteristics are fully understood and optimized for specific applications.

Interesting facts

Interesting Facts about Prop-2-ynyl 1,4,5,6-Tetrahydropyrimidine-5-Carboxylate

Prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate is a fascinating compound with diverse implications in both organic chemistry and pharmaceuticals. Here are some key points that illuminate its significance:

  • Core Structure: The compound contains a pyrimidine ring, which is characteristic of many biologically active molecules. Pyrimidines are essential components of nucleic acids, serving as the building blocks for DNA and RNA.
  • Reactivity: The presence of the prop-2-ynyl group promotes interesting reactivity patterns. This alkyne functionality can engage in various transformations, including coupling reactions and hydrolysis, making it a versatile unit in synthetic chemistry.
  • Potential Applications: Due to its structural features, this compound could have potential applications in medicinal chemistry. It may serve as a scaffold for designing novel drugs, especially in targeting specific pathways or diseases.
  • Synthetic Pathways: The synthesis of prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate can involve multi-step reactions, which often require strategic use of various reagents. This highlights the creativity and problem-solving skills inherent in organic synthesis.
  • Biological Importance: Compounds similar to this one have been studied for their biological activity, with many showing promise as anti-cancer or anti-inflammatory agents. Understanding its analogs could lead to breakthroughs in therapeutic formulations.

As we explore the realm of chemical compounds like prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate, we discover the interplay of structure and function, which is central to many scientific advancements in the fields of chemistry and medicine. The ongoing research and development surrounding such compounds embody the dynamic nature of chemical science.

Synonyms
185444-95-5
prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
2-Propyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylate
CHEMBL542065
SCHEMBL9376390
CHEMBL1191029
DTXSID301236605
BDBM50039843
PD160119
DB-393491
EN300-2515775
L008017
1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid prop-2-ynyl ester; hydrochloride