4,4-dimethyl-3,1-benzoxazine-2-thiol

Identification

Molecular formula

C₉H₉NOS

CAS number

81215-12-1

IUPAC name

4,4-dimethyl-3,1-benzoxazine-2-thiol

State

At room temperature, 4,4-dimethyl-3,1-benzoxazine-2-thiol is typically in a solid state.

Melting point (Celsius)

160.00

Melting point (Kelvin)

433.15

Boiling point (Celsius)

343.00

Boiling point (Kelvin)

616.15

General information

Molecular weight

179.23g/mol

Molar mass

179.2300g/mol

Density

1.1870g/cm³

Appearence

4,4-Dimethyl-3,1-benzoxazine-2-thiol appears as a solid. It may be colorless to a light yellow powder or crystal, depending on its form and purity.

Comment on solubility

Solubility of 4,4-Dimethyl-3,1-benzoxazine-2-thiol

The solubility of 4,4-dimethyl-3,1-benzoxazine-2-thiol presents a fascinating topic for discussion, particularly due to its unique structural features. This compound is characterized by both a heterocyclic benzoxazine ring and a thiol functional group, which can influence its interaction with various solvents.

Factors Affecting Solubility

Several factors contribute to the solubility of this compound:

Polarity: The presence of the thiol (-SH) group enhances its polarity, suggesting that it may have increased solubility in polar solvents such as water and alcohols.
Hydrophobic Effects: The dimethyl groups on the benzoxazine ring might introduce hydrophobic characteristics, potentially limiting solubility in highly polar environments.
Hydrogen Bonding: The ability of the thiol group to form hydrogen bonds could facilitate solubility in certain solvents.

Expected Solubility Behavior

Based on these considerations, one can anticipate the following solubility outcomes:

Likely soluble in polar organic solvents such as ethanol or methanol.
Limited solubility in non-polar solvents like hexane.
Varied performance in aqueous solutions, possibly dependent on pH conditions due to protonation/deprotonation of the thiol group.

Thus, understanding the solubility of 4,4-dimethyl-3,1-benzoxazine-2-thiol requires a keen appreciation of its molecular structure and the interplay of various solvation factors, making it a subject worthy of meticulous examination.

Interesting facts

Interesting Facts about 4,4-Dimethyl-3,1-benzoxazine-2-thiol

4,4-Dimethyl-3,1-benzoxazine-2-thiol is a fascinating compound that belongs to the class of heterocyclic organic compounds. Here are some captivating insights into its chemistry and potential applications:

Benzoxazine Structure: This compound features a benzoxazine structure, which is notable for its role in organic chemistry. These compounds often exhibit remarkable thermal stability and are used in the formulation of thermosetting resins.
Thiol Group: The presence of a thiol (-SH) group confers unique properties, making this compound a potential candidate for various applications. Thiols are known for their antioxidant properties and can interact with free radicals, making them valuable in biological systems.
Versatile Reactivity: Due to its structure, 4,4-dimethyl-3,1-benzoxazine-2-thiol can undergo a variety of chemical reactions. This versatility opens up pathways for the synthesis of other complex molecules, which is a significant aspect of organic synthesis.
Research Potential: The compound is being explored for potential uses in medicinal chemistry. Its unique structural characteristics may lead to the development of new therapeutic agents, turning the attention of researchers towards its biological activity.
Antimicrobial Activity: Preliminary studies have suggested that compounds with thiol groups can exhibit antimicrobial properties, which could be an exciting avenue for further exploration in microbiology and pharmaceuticals.

In conclusion, 4,4-dimethyl-3,1-benzoxazine-2-thiol exemplifies the intersection of organic chemistry and potential real-world applications. As a scientist or student, understanding the intricate properties and possibilities of such compounds can enhance our exploration of chemical sciences and their practical implications.