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Ciratiapin

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Identification
Molecular formula
C24H15NO6
CAS number
361442-18-0
IUPAC name
[4-[2-(4-acetoxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl] acetate
State
State

At room temperature, Ciratiapin is in a solid state.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
455.00
Boiling point (Kelvin)
728.15
General information
Molecular weight
417.40g/mol
Molar mass
417.4040g/mol
Density
1.3750g/cm3
Appearence

Ciratiapin typically appears as a white to off-white crystalline powder. It is devoid of any distinctive odor.

Comment on solubility

Solubility of [4-[2-(4-acetoxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl] acetate

This complex compound exhibits interesting solubility characteristics that are influenced by its molecular structure. The presence of various functional groups, particularly the acetoxy and benzoxazin moieties, plays a crucial role in determining its solubility in different solvents.

Factors Affecting Solubility

  • Polar vs. Nonpolar Solvents: The compound's polar acetoxy group enhances its solubility in polar solvents such as water and methanol, while the aromatic rings may provide some degree of solubility in nonpolar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds with solvents can significantly increase its solubility, making it more soluble in alcohols and certain organic solvents.
  • Temperature: Elevated temperatures may increase solubility, as the kinetic energy helps to break intermolecular forces holding the compound together.

In practical terms, you might encounter the following scenarios when working with this compound:

  1. If attempting to dissolve in water, expect moderate solubility due to the polar nature of the acetoxy group.
  2. In organic solvents, such as ethanol or acetonitrile, solubility is likely higher due to favorable interactions with the functional groups.

Overall, understanding the solubility profile of [4-[2-(4-acetoxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl] acetate is essential for applications in drug formulation and material science. The right solvent can greatly enhance its usability in practical applications.

Interesting facts

Interesting Facts about 4-[2-(4-acetoxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl Acetate

This compound exhibits several fascinating characteristics, particularly in the fields of medicinal chemistry and organic synthesis. Here are some notable points:

  • Potential Pharmacological Activity: Compounds similar to this have been explored for their potential in displaying anti-inflammatory, anti-cancer, and antimicrobial activities. The unique structure of the benzoxazine ring is known to enhance the bioactivity of chemical entities.
  • Polyfunctional Nature: The presence of multiple functional groups, such as acetoxy and ketone, allows this compound to participate in various chemical reactions, making it a versatile intermediate in organic synthesis.
  • Conjugated Systems: The compound is characterized by its conjugated π-systems, contributing to its stability and reactivity. This structural feature is critical in many biological processes, enhancing its potential usefulness in drug development.
  • Research Opportunities: Due to its complex structure, this compound opens avenues for research in synthetic methodologies, such as targeted drug delivery systems and novel synthesis techniques in organic chemistries.
  • Recognition in Literature: The unique properties of benzoxazine derivatives have gained attention in recent scientific literature, indicating their importance in current research endeavors.

Overall, 4-[2-(4-acetoxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl acetate not only represents a complex chemical structure but also embodies the spirit of discovery in organic chemistry, bridging gaps between basic research and potential real-world applications.

Synonyms
Bisoxatin acetate
14008-48-1
WY 8138
WY-8138
79W5LFS83K
DTXSID1048839
DTXCID8028765
bisoxatin diacetate
4-(2-(4-(acetyloxy)phenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)phenyl acetate
237-820-5
Bisoxatin (acetate)
(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-2,2-diyl)bis(4,1-phenylene) diacetate
Laxonalin
Maratan
2,2-Bis(p-hydroxyphenyl)-2H-1,4-benzoxazin-3(4H)-one diacetate
2H-1,4-Benzoxazin-3(4H)-one, 2,2-bis(4-(acetyloxy)phenyl)-
NCGC00182998-01
Metrolax
Wylaxine
Talsis
Tasis
Kritel Tropfen
Bisoxatin acetate [USAN:JAN]
EINECS 237-820-5
BRN 0589169
UNII-79W5LFS83K
[4-[2-(4-acetyloxyphenyl)-3-oxo-4H-1,4-benzoxazin-2-yl]phenyl] acetate
BISOXATINACETATE
2,2-Bis(4-acetoxyphenyl)-2H-1,4-benzoxazin-3(4H)-one
2,2-Bis(4-acetoxyphenyl)-3-oxo-2,3-dihydrobenz-1,4-oxazine
2H-1,4-Benzoazin-3(4H)-one, 2,2-bis(4-(acetoxy)phenyl)-
2,2-Bis(p-hydroxyphenyl)-2H-1,4-benzoazin-3(4H)-one diacetate
2,2-Bis(4-(acetyloxy)phenyl)-2H-1,4-benzoxazin-3(4H)-one diacetate
SCHEMBL364629
BISOXATIN ACETATE [MI]
Bisoxatin acetate (JAN/USAN)
orb1698130
BISOXATIN ACETATE [JAN]
BISOXATIN ACETATE [USAN]
CHEMBL2106004
SCHEMBL27939033
SCHEMBL31152556
CHEBI:31294
BISOXATIN ACETATE [MART.]
ZCBJDQBSLZREAA-UHFFFAOYSA-N
BISOXATIN ACETATE [WHO-DD]
BCP31468
MSK14278
Tox21_113321
MFCD00867639
2H-1,4-BENZOXAZIN-3-(4H)-ONE, 2,2-BIS(p-HYDROXYPHENYL)-, DIACETATE
AKOS040750816
DB14654
CAS-14008-48-1
HY-117749
CS-0067609
NS00024540
D01191
Q27266785