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O-tert-butyl phenoxyacetate

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Identification
Molecular formula
C20H23NO2S
CAS number
63231-19-6
IUPAC name
O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(m-tolyl)carbamothioate
State
State

At room temperature, O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(m-tolyl)carbamothioate is typically in a solid state. Its crystalline structure contributes to its solid form.

Melting point (Celsius)
57.00
Melting point (Kelvin)
330.15
Boiling point (Celsius)
404.75
Boiling point (Kelvin)
677.90
General information
Molecular weight
313.42g/mol
Molar mass
313.4160g/mol
Density
1.1400g/cm3
Appearence

The compound is a crystalline solid that may appear as a white or off-white powder. It may also display a pale yellow tint depending on purity and presence of impurities.

Comment on solubility

Solubility of O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(m-tolyl)carbamothioate

The solubility of the compound O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(m-tolyl)carbamothioate, with the chemical formula C20H23NO2S, can be influenced by several factors, primarily its molecular structure and the presence of functional groups. Here are some key points regarding its solubility:

  • Polarity: The presence of the carbamothioate group adds polar character to this molecule, which may enhance its solubility in polar solvents like water.
  • Hydrophobic Regions: The tricyclic structure contributes a significant hydrophobic portion, which can limit solubility in highly polar solvents.
  • Solvent Compatibility: The solubility profile might suggest better dissolvability in organic solvents such as ethanol, methanol, or chloroform due to the extensive hydrophobic regions.

For practical applications, one might observe that:

  1. If attempting to dissolve this compound, organic solvents may be more effective.
  2. It could show limited or variable solubility in water, depending on temperature and pH conditions.

Therefore, while certain aspects of its solubility can be anticipated based on its structure, empirical testing is certainly advisable to determine its behavior in various solvent systems. Various scientific studies might expand on this topic, stating

“Solubility is not merely a characteristic; it is a cornerstone for understanding a compound's behavior in real-world applications.”

In conclusion, the solubility of this compound poses an intriguing study that intertwines chemistry with practical utility!

Interesting facts

Interesting Facts about O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(m-tolyl)carbamothioate

This fascinating compound is a remarkable example of the diversity found in organic chemistry, showcasing a unique tricyclic structure that offers intriguing possibilities in various fields. Here are some interesting facts:

  • Unique Structure: The compound features a tricyclic structure, which contributes to its intriguing chemical properties and potential applications. Tricyclic compounds are often studied for their unique reactivity and stability.
  • Applications in Agriculture: Its carbamothioate moiety suggests potential uses in the agricultural sector, where such compounds can act as pesticides or herbicides. The incorporation of the tricyclo system may enhance effectiveness against specific pests.
  • Interaction with Biological Systems: The N-methyl-N-(m-tolyl) group is a fascinating addition that may influence the physiological activity of the compound, suggesting it could interact with biological systems in interesting ways.
  • Potential for Drug Design: The structural complexity of this compound indicates its potential in drug design and development. Compounds with unique frameworks often lead to innovative pharmacological agents.
  • Research Opportunities: As with many organic compounds, ongoing research can uncover new synthetic pathways or applications. This compound could provide insights into the development of new materials or catalytic processes.

In the words of a seasoned chemist, "The complexity of nature's molecules opens doors to countless applications and discoveries." Such sentiments resonate deeply with the study of compounds like O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(m-tolyl)carbamothioate, where every characteristic plays a vital role in its potential across various scientific realms.

Synonyms
tolciclate
50838-36-3
Tolmicen
Fungifos
DTXSID0057758
KC 9147
O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(3-methylphenyl)carbamothioate
1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate
K-9147
DTXCID1031547
Fungifos; K 9147; KC 9147; Kilmicen; Tolciclate
SCHEMBL152740
Tolciclate (JAN/USAN/INN)
CHEMBL2105485
CHEBI:32242
CANCCLAKQQHLNK-UHFFFAOYSA-N
Tox21_113710
AKOS040746418
NCGC00249934-01
CAS-50838-36-3
HY-106546
NS00032158
O-[?]yl N-methyl-N-(m-tolyl)carbamothioate
D01384
Q2253370