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Thiamine

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Identification
Molecular formula
C12H17N4OS
CAS number
59-43-8
IUPAC name
2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol
State
State

Thiamine is typically a solid at room temperature and often exists as a hydrochloride salt when used in supplements and pharmaceuticals.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
337.27g/mol
Molar mass
337.2710g/mol
Density
1.3000g/cm3
Appearence

Thiamine, also known as vitamin B1, is a white crystalline compound that is soluble in water. It typically comes in crystalline powder form and has a characteristic odor.

Comment on solubility

Solubility of 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol

The solubility of 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol can be influenced by several key factors, making it an intriguing subject for discussion:

  • Polarity: The presence of multiple polar functional groups in its structure likely enhances its solubility in polar solvents, such as water.
  • pH Dependence: Given that the compound features a quaternary ammonium functional group, its solubility may vary with changes in pH. In an acidic environment, it is expected to remain soluble, while in basic conditions, the solubility could be affected.
  • Hydrogen Bonding: The ability of this compound to engage in hydrogen bonding can further increase solubility, particularly in protic solvents.

As with many nitrogen-containing organic compounds, temperature and ionic strength of the solution can also play significant roles in determining solubility. While specific solubility data might not always be readily available, the chemical characteristics suggest a tendency towards good solubilization under appropriate conditions.

In summary, the unique structure of 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol indicates that it is likely to be soluble in polar solvents, influenced largely by pH and temperature. Understanding these aspects contributes significantly to both its practical applications and its behavior in various chemical environments.

Interesting facts

Interesting Facts about 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol

This fascinating compound has gained attention in the realm of medicinal chemistry due to its unique structure and potential biological activities. Here are some key insights:

  • Pharmacological Interest: The presence of the pyrimidine and pyridine rings in its structure makes it a subject of interest for research in drug design, particularly in the development of therapeutics for cancer and infectious diseases.
  • Biological Activity: Compounds with similar structural features have been known to exhibit various biological activities, such as antimicrobial, antiviral, and anticancer properties. This suggests that 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol may also possess similar potential.
  • Structure-Activity Relationship (SAR): The detailed exploration of how different substitutions on the pyridine and pyrimidine rings affect biological activity is crucial. This compound serves as an important model for SAR studies.
  • Synthesis and Analysis: The synthesis of this compound can be an excellent educational example for chemistry students. The methodologies for synthesizing heterocyclic compounds often involve interesting steps like ring closures or substitution reactions, making it a great case study.
  • Potential Applications: Beyond medicinal uses, compounds like this one can find applications in agricultural chemistry for pest control or as intermediates in the synthesis of more complex molecules.

As a scientist delving into the world of organic compounds, the investigation of 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol can provide valuable insights into the intricate mechanisms of action and the potential for new therapeutic strategies.

Synonyms
Pyrithiamine base
pyrithiamine ion
pyrithiamine cation
5593-78-2
UNII-C8K5X0362H
C8K5X0362H
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CHEBI:72290
2-Picolinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-
1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methylpyridinium ion
Pyridinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-
1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
CHEMBL1229798
DTXSID20204528
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol
C21111
Q27104996
1-((4-Amino-2-methylpyrimidin-5-yl)methyl)-3-(2-hydroxyethyl)-2-methylpyridin-1-ium
1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium