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3-(methoxycarbonylamino)phenyl N-isobutylcarbamate

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Identification
Molecular formula
C14H20N2O4
CAS number
139718-23-5
IUPAC name
[3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate
State
State

This compound is generally found as a solid at room temperature, exhibiting a crystalline appearance with slight variations in texture depending on sample source and purity.

Melting point (Celsius)
98.00
Melting point (Kelvin)
371.15
Boiling point (Celsius)
370.00
Boiling point (Kelvin)
643.15
General information
Molecular weight
264.32g/mol
Molar mass
264.3040g/mol
Density
1.2100g/cm3
Appearence

The compound typically appears as a white to off-white crystalline powder. Its appearance can vary slightly based on purity and physical state.

Comment on solubility

Solubility of [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate

The solubility of [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate is a noteworthy aspect that can significantly impact its applications in various fields. This compound, with its unique structural features, has potential interactions with different solvents, which can influence its solubility profile.

Factors Affecting Solubility

The solubility of this compound is primarily dependent on the following factors:

  • Polarity of the Solvent: The compound contains functional groups such as carbonyl and amino, which can interact favorably with polar solvents.
  • Hydrogen Bonding: The presence of the amine and carbonyl groups may lead to hydrogen bonding with water or other polar solvents, enhancing solubility.
  • Hydrophobic Interactions: The isobutyl group introduces hydrophobic characteristics, which may reduce solubility in polar solvents like water but improve solubility in non-polar solvents.

General Observations

In general, it is expected that:

  • The compound could be moderately soluble in polar organic solvents such as methanol or ethanol.
  • Its solubility in water may be limited, especially at lower temperatures due to the hydrophobic nature of the isobutyl group.
  • Controlled conditions, such as pH and temperature, may further influence solubility. For instance, higher temperatures can often enhance solubility due to increased kinetic energy.

In conclusion, understanding the solubility of [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate is crucial for tailored applications, whether in pharmaceuticals, agrochemicals, or material science. Exploring its solubility behavior can unveil new pathways for effective utilization.

Interesting facts

Interesting Facts about [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate

This compound, known as [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate, is a fascinating molecule with intriguing properties and potential applications in various fields, particularly in medicinal chemistry and agricultural sciences. Here are some noteworthy points that can pique the interest of both scientists and chemistry enthusiasts:

  • Functional Diversity: The compound contains both a carbamate and an amine functional group, which allows it to participate in diverse chemical reactions, making it a valuable intermediate in organic synthesis.
  • Pharmaceutical Potential: Researchers are continuously exploring the therapeutic effects of carbamate derivatives. Their ability to serve as enzyme inhibitors or to modulate biological activity renders them promising candidates in drug development.
  • Agrochemical Applications: Due to its structural features, this compound might also have potential applications as a pesticide or herbicide. Its ability to interact with biological systems could be harnessed for enhancing crop protection strategies.
  • Structure-Activity Relationship (SAR): The specific arrangement of the methoxycarbonyl group and the isobutyl moiety can lead to variations in biological activity, making such compounds a focus of SAR studies for optimizing efficacy and selectivity.
  • Analytical Techniques: The study of this compound often involves advanced analytical methods such as NMR, Mass Spectrometry, and HPLC, enabling chemists to understand its structure and behavior in various conditions.

As noted by notable chemists, "Chemical synthesis is not just a way to produce molecules; it’s a journey into understanding the intricate dance of atoms." Exploring [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate may uncover new insights into both its synthetic pathways and biological interactions.

In conclusion, the versatility of this compound reflects the exciting possibilities within the realm of organic chemistry. Whether for medicinal use or agricultural innovation, the future of [3-(methoxycarbonylamino)phenyl] N-isobutylcarbamate holds a potential that is yet to be fully explored.

Synonyms
19961-61-6
KPU9I2T5RL
CARBANILIC ACID, m-HYDROXY-, METHYL ESTER, 2-ISOBUTYLCARBAMATE
NSC 222543
BRN 2387434
Methyl m-hydroxycarbanilate, isobutylcarbamate
UNII-KPU9I2T5RL
NSC-222543
Carbanilic acid, m-hydroxy-, methyl ester, isobutylcarbamate (ester)
DTXSID00173748
CARBAMIC ACID, ISOBUTYL-, ESTER WITH METHYL M-HYDROXYCARBANILATE
DTXCID4096239
Carbanilic acid, m-hydroxy-, methyl ester, isobutylcarbamate (ester) (8CI)
RefChem:123473
Methyl m-hydroxycarbanilate isobutylcarbamate
WLN: 1Y1&1MVOR CMVO1
NSC222543
Carbanilic acid, methyl ester, 2-isobutylcarbamate
Carbanilic acid, methyl ester, isobutylcarbamate (ester)
[3-(Methoxycarbonylamino)phenyl]n-(2-methylpropyl)carbamate