1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime)
[CAS# 253585-83-0]

Identification

• Classification: Chemical reagent >> Organic reagent >> Oxime
• Name: 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime)
• Synonyms: [[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
• Molecular Formula: C₂₇H₂₇NO₃S
• Molecular Weight: 445.57
• CAS Registry Number: 253585-83-0
• EC Number: 454-610-0
• SMILES: CCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.579, Calc.^*
• Boiling Point: 594.7±52.0 ºC (760 mmHg), Calc.^*
• Flash Point: 313.5±30.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H317
• Precautionary Statements: P261-P272-P280-P302+P352-P321-P333+P313-P362+P364-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin sensitization	Skin Sens.	1	H317

• Transport Information: UN 2926

Discovory and Applicatios

1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) is a compound of notable interest in the field of organic chemistry due to its unique chemical properties and applications. This substance, also known as a specialized organic molecule, has garnered attention for its role in various chemical reactions and applications, particularly in the realm of organic synthesis and material science.

The discovery of 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) emerged from efforts to develop new reagents and intermediates for use in complex organic synthesis. Researchers were exploring ways to create compounds with specific functional groups that could facilitate diverse chemical transformations. This compound was identified as a useful intermediate due to its ability to participate in key reactions, making it valuable in synthetic chemistry.

The chemical structure of 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) features a phenylthio group attached to a phenyl ring, along with an octanedione core and an O-benzoyloxime moiety. This structure endows the compound with unique reactivity and properties. The presence of the phenylthio group, in particular, enhances the compound's ability to engage in nucleophilic substitution reactions, which are crucial for synthesizing a wide range of organic molecules.

One of the primary applications of 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) is in the synthesis of complex organic molecules. Its role as an intermediate in various reactions allows chemists to build intricate structures with precision. For instance, it can be used in the synthesis of pharmaceuticals and agrochemicals, where precise chemical modifications are required to achieve the desired biological activity or efficacy.

In material science, this compound is employed in the development of specialized materials and polymers. Its ability to participate in cross-linking reactions makes it useful in creating high-performance materials with tailored properties. These materials can be used in a variety of applications, including coatings, adhesives, and composite materials, where stability and performance are critical.

Moreover, 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) serves as a valuable tool in research and development. It allows scientists to explore new chemical pathways and reaction mechanisms, contributing to advancements in organic chemistry. Its unique reactivity and functional groups make it a versatile building block for designing and testing new compounds with potential applications in various fields.

The ongoing research into the applications and properties of 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime] continues to expand its utility in both academic and industrial settings. By optimizing its use in different chemical processes and applications, scientists aim to unlock further potential for this compound and enhance its role in advancing chemical science and technology.

In conclusion, 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) is a significant compound in organic chemistry, known for its unique structure and versatile applications. Its role as an intermediate in organic synthesis and its use in material science underscore its importance in advancing chemical research and developing specialized materials.