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(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate

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Identification
Molecular formula
C16H29NO5
CAS number
76195-78-3
IUPAC name
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
State
State

This compound typically exists in a liquid state at room temperature.

Melting point (Celsius)
-30.00
Melting point (Kelvin)
243.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
315.39g/mol
Molar mass
315.3920g/mol
Density
1.2900g/cm3
Appearence

The compound presents itself as a colorless liquid with a pleasant, fruity odor. Its appearance can be characterized by its clear and water-like viscosity. The compound may sometimes contain trace impurities that slightly alter its color to a light yellow or pale hue.

Comment on solubility

Solubility Characteristics

The compound (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate presents intriguing solubility properties that can influence its applications in various fields.

Understanding its solubility involves considering several factors:

  • Polarity: Given its structure, the molecule includes hydroxyl groups, which are generally polar. This suggests a potential for good solubility in polar solvents, such as water or ethanol.
  • Functional Groups: The presence of hydroxy functional groups increases hydrogen bonding interactions with solvents, enhancing solubility in systems where these interactions are favorable.
  • Molecular Weight: The relatively moderate molecular weight may influence its solubility behavior. Lighter molecules tend to dissolve more readily compared to heavier ones.

Overall, while specific empirical data on the solubility of this compound may be limited, the structural characteristics lead to the expectation of enhanced solubility in polar environments. As stated, "Like dissolves like," indicating that the compound may find solubility in similar polar solvents.

This makes it essential to explore various solvent systems to determine optimal conditions for solubility, which could greatly influence its practical applications.

Interesting facts

Interesting Facts about (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate

This fascinating compound, often referred to by its more accessible name, represents a unique intersection of organic chemistry and medicinal applications. Here are some intriguing insights regarding this specific chemical:

  • Structural Complexity: The compound features a tetrahydro-pyrrolizin moiety alongside a butanoate group, demonstrating how diverse functional groups can interplay within a single molecule.
  • Natural Product Derivative: This compound is a derivative of naturally occurring pyrrolizidine alkaloids, which are known for their biological activity and potential therapeutic applications.
  • Potential Pharmacological Properties: Researchers are exploring the compound’s affinities for various biological targets, particularly in the fields of anti-cancer and anti-inflammatory research.
  • Synthetic Pathways: The synthesis of such complex molecules often requires innovative synthetic routes, showcasing the creativity of chemists in developing new methods.
  • Multifunctionality: The presence of hydroxy and methyl groups suggests potential for various reactions, making this compound a versatile player in organic synthesis.

In scholarly circles, compounds like this one can often serve dual purposes: they are studied for their intrinsic chemical properties and also their potential to inspire the development of new therapeutic agents. With ongoing research, the possibilities seem boundless.

As we delve deeper into the chemistry of such compounds, we glean insights that not only enhance our scientific understanding, but also pave the way for innovations in pharmaceuticals and environmental science. Such is the beauty of complex organic molecules!

Synonyms
Echinatine
MLS002694968
NSC89937
480-83-1
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1.alpha.,7(2R*,3R*),7a.alpha.]]-
NSC-89937
SCHEMBL16058911
ACon1_001514
BDBM86682
DTXSID60864145
CHEBI:182293
SFVVQRJOGUKCEG-UHFFFAOYSA-N
AAA48083
CAS_114843
NSC_114843
NCGC00180426-01
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
SMR001560881
XR180165
L000642
BRD-A28796875-001-01-8
(1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate #
(1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1.alpha.,7(2R,3S),7a.alpha.))-
Butanoic acid,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-(1.alpha.,7(2R,3S),7a.alpha.)]-
Butanoic acid,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1.alpha.,7(2R*,3R*),7a.alpha.]]-