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benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate

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Identification
Molecular formula
C21H24N2O4
CAS number
154345-66-9
IUPAC name
benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate
State
State

At room temperature, benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate is in a solid state. It is often found in the form of a powder or crystalline form, which is typical for many organic compounds of a similar structure.

Melting point (Celsius)
168.50
Melting point (Kelvin)
441.65
Boiling point (Celsius)
512.00
Boiling point (Kelvin)
785.15
General information
Molecular weight
368.42g/mol
Molar mass
368.4160g/mol
Density
1.2500g/cm3
Appearence

Benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate typically appears as a crystalline solid. The compound is generally white or off-white in color, although it may appear slightly yellowish depending on the purity and specific physical form.

Comment on solubility

Solubility of Benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate

Benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate (C21H24N2O4) demonstrates a unique solubility profile due to its complex molecular structure. The solubility of this compound can be influenced by various factors:

  • Polarity: The presence of polar functional groups, including guanidine and ester linkages, often enhances solubility in polar solvents like water and alcohols.
  • Hydrophobic Regions: The benzyl and cyclohexane components may contribute to hydrophobic interactions, potentially reducing solubility in polar environments.
  • pH Sensitivity: The overall solubility may vary significantly across different pH levels due to protonation states of the guanidine group.

In practice, it is often noted that:

  1. Compounds similar in structure tend to exhibit moderate to high solubility in organic solvents.
  2. Experimental conditions, including temperature and solvent choice, play a critical role in determining the solubility.

In conclusion, while the solubility of benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate is multifaceted, understanding these aspects can aid in predicting its behavior in various chemical environments. As with many compounds, experimental validation remains essential for accurate solubility assessments.

Interesting facts

Interesting Facts about Benzyl 2-[4-(Guanidinomethyl)cyclohexanecarbonyl]oxybenzoate

Benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate is a fascinating compound with a range of properties that pique the interest of chemists and researchers alike. Here are some insightful aspects of this compound:

  • Pharmaceutical Potential: This compound plays a significant role in medicinal chemistry as a potential candidate for drug development. Compounds like benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate may exhibit bioactive properties, reflecting its structural complexity.
  • Hybrid Architecture: The presence of both the benzyl group and the guanidine moiety in the structure indicates its hybrid nature, which can contribute to unique interactions within biological systems.
  • Synthetic Versatility: The synthetic pathways utilized to create compounds like this often involve multiple steps and careful control of reaction conditions. This complexity allows chemists to manipulate the compound for various applications.
  • Research Applications: Its unique structure makes it a subject of interest in various research fields, including but not limited to, medicinal chemistry, biochemistry, and material science. Its interactions at the molecular level can provide valuable insights into its pharmacological effects.
  • Guanidino Group: The guanidino functional group is known for its roles in biological systems, particularly in protein interactions. This can lead to understanding how the compound interacts on a cellular level.
  • Potential Impact: With ongoing research, compounds with complex structures such as this one hold potential for developing new therapies for various diseases, making their study crucial in contemporary medicinal chemistry.

"The beauty of chemistry lies in understanding how structure informs function. Compounds like benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate remind us of the intricate relationships between molecular design and biological activity."

As scientists continue to explore and document the characteristics of compounds like this, we gain a deeper appreciation for the molecular world and its potential contributions to health and technology.

Synonyms
Benexate
78718-52-2
Benexate [INN]
Benexato
Benzyl 2-((trans-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate
O3PR2X907M
Benexate (INN)
Benzyl salicylate, trans-4-(guanidinomethyl)cyclohexanecarboxylate
Benexatum [Latin]
Benexato [Spanish]
Benexatum
Benzyl 2-((4-(guanidinomethyl)cyclohexane-1-carbonyl)oxy)benzoate
345948-48-3
UNII-O3PR2X907M
C23H27N3O4
BENEXATE [WHO-DD]
SCHEMBL904389
SCHEMBL904390
SCHEMBL9099564
CHEMBL2104696
DTXSID80868488
CHEBI:177854
Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)oxy)-, phenylmethyl ester, trans-
DB-056328
NS00122147
D07506
Q4887561
benzyl 2-((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyloxy)benzoate
Benzyl 2-({[4-(carbamimidamidomethyl)cyclohexyl]carbonyl}oxy)benzoate