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Identification
Molecular formula
C21H26F2N2O8
CAS number
Not Available
IUPAC name
3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-(difluoromethoxy)-4-oxo-butanoic acid
State
State

At room temperature, this compound exists as a solid, primarily found in a crystalline powder form. It is stable under standard room conditions when stored properly.

Melting point (Celsius)
140.00
Melting point (Kelvin)
413.15
Boiling point (Celsius)
305.00
Boiling point (Kelvin)
578.15
General information
Molecular weight
467.41g/mol
Molar mass
467.4110g/mol
Density
1.3000g/cm3
Appearence

This compound is typically observed as a crystalline solid. The precise color can depend on the purity and specific form, but it generally appears as a white to off-white or slightly yellow crystalline powder.

Comment on solubility

Solubility of 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-(difluoromethoxy)-4-oxo-butanoic acid

The solubility of the compound C21H26F2N2O8 can be complex due to its intricate molecular structure. Several factors contribute to its solubility, including:

  • Polarity: The presence of polar functional groups, such as carboxylic acids and aminotags, generally increases solubility in polar solvents like water.
  • Hydrophobic Parts: The benzyloxycarbonyl group and other hydrocarbon chains may contribute to hydrophobic interactions, affecting solubility in water.
  • Hydrogen Bonding: Capable of forming hydrogen bonds, which can enhance solubility in both aqueous and organic solvents.

Ultimately, the solubility behavior must be experimentally determined, as it is often dependent on the solvent system and environmental conditions. It is *important to note* that a compound may exhibit:

  1. High solubility in organic solvents.
  2. Variable solubility in water, potentially requiring conditions such as temperature adjustment or pH modification.
  3. Poor solubility in certain non-polar solvents.

In summary, the comprehensive understanding of this compound's solubility characteristics can lead to valuable insights during its application in chemical processes or pharmaceutical development.

Interesting facts

Interesting Facts about 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-(difluoromethoxy)-4-oxo-butanoic acid

This complex compound represents a fascinating example of synthetic organic chemistry, showcasing the intricate nature of molecular design. Here are several intriguing aspects about it:

  • Versatile Applications: Compounds like this one can play critical roles in pharmaceuticals, particularly in the development of novel drug therapies. The unique functionalities present in its structure may contribute to the creation of targeted treatments for various diseases.
  • Functional Groups: The presence of multiple functional groups, including amino and carbonyl groups, provides a wealth of reactivity that can be exploited in medicinal chemistry. These groups often influence the compound's biological activity and binding abilities.
  • Structure-Activity Relationship: The intricate architecture of this compound allows for detailed studies on how different modifications can enhance or alter its biological properties. This makes it a valuable candidate for structure-activity relationship (SAR) studies.
  • Fluorinated Moiety: Incorporating difluoromethoxy groups can improve metabolic stability and bioavailability. In medicinal chemistry, fluorine atoms can optimize the interaction of the compound with biological targets.
  • Synthetic Challenge: The synthesis of such a complex molecule highlights the advancements in organic synthesis techniques, illustrating the challenges and rewards associated with multi-step synthesis processes.
  • Research Potential: As a compound with potential therapeutic applications, it is likely a point of interest in various scientific studies aimed at combating diseases, particularly those requiring targeted delivery mechanisms.

In summary, 3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-(difluoromethoxy)-4-oxo-butanoic acid embodies the sophistication and innovation inherent in modern chemical research. Its multifaceted structure invites further exploration, promising insights into both chemical properties and practical applications.

Synonyms
KBio1_000961
[zVAL-ALA-ASP-CHF2]
DivK1c_000961
HMS503A03
NINDS_000961
IDI1_000961
aspartic acid, N-[(phenylmethoxy)carbonyl]valylalanyl-, 1-(difluoromethyl) ester