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10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid

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Identification
Molecular formula
C20H12O8
CAS number
Not available
IUPAC name
10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid
State
State
The compound is a solid at room temperature. It is generally stable under normal conditions but should be stored away from strong oxidizing agents and light to prevent degradation.
Melting point (Celsius)
263.00
Melting point (Kelvin)
536.15
Boiling point (Celsius)
605.00
Boiling point (Kelvin)
878.15
General information
Molecular weight
378.35g/mol
Molar mass
378.3460g/mol
Density
1.4532g/cm3
Appearence

The compound appears as a crystalline solid, typically off-white to pale yellow in color. It is known to be photosensitive, potentially darkening in color upon prolonged exposure to light.

Comment on solubility

Solubility of 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid

The solubility of 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid is influenced by several factors—including its molecular structure and intermolecular interactions. Here are some key points regarding the compound's solubility:

  • Polarity: The presence of multiple functional groups, such as hydroxyl (-OH) and carboxylic acid (-COOH), suggests that the compound may exhibit polar characteristics, enhancing its solubility in polar solvents like water.
  • Non-polar regions: Conversely, the aromatic components contribute to non-polar characteristics, which may render the compound less soluble in non-polar solvents.
  • Hydrogen bonding: The ability to form hydrogen bonds with solvents can significantly increase solubility. The -OH and -COOH groups are particularly effective in this regard.
  • pH influence: Solubility can also vary with pH levels. In acidic conditions, the carboxylic acid group might tend to remain protonated, affecting solubility differently than in neutral or basic conditions.

In summary, the solubility of 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid can be described as moderately soluble in water while also exhibiting better solubility in organic solvents, particularly those that can interact through hydrogen bonding or have compatible polar characteristics. Understanding these aspects is crucial for effective application and processing of the compound.

Interesting facts

Interesting Facts about 10-Formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic Acid

10-Formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid is a fascinating compound within the field of organic chemistry and medicinal research. This complex molecule belongs to a class known as benzodioxepines, which feature a unique fused ring system that contributes to their intriguing properties.

Key Attributes:

  • Biological Significance: Compounds in the benzodioxepine family have shown potential in various biological applications, making them interesting candidates for drug development.
  • Structural Complexity: The structure of this compound includes several functional groups, including formyl, hydroxyl, and methoxy, which may influence its reactivity and interaction with biological targets.
  • Pharmacophore Insights: With its diverse molecular features, this compound serves as an excellent model for understanding how different structural elements can affect biological activity.

In research contexts, compounds like this one are often used in the synthesis of novel pharmaceuticals. Their intricate architecture allows scientists to explore a variety of structure-activity relationships that can lead to the discovery of more effective therapeutic agents.

As we delve deeper into the study of such compounds, it is essential to remember that their functionality is often tied to their chirality, which is the property of a molecule having non-superimposable mirror images. This factor can be crucial in determining how well a compound interacts with biological molecules, highlighting the importance of stereochemistry in drug design.

Overall, the study of 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid opens exciting avenues for future research and application in medicinal chemistry.

Synonyms
Psoromic acid
Parellic acid
7299-11-8
NSC-92186
Psoromic acid (parellic acid)
CHEMBL176570
NSC92186
4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid
11H-Dibenzo[b,e][1,4]dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid
11H-Dibenzo(b,e)(1,4)dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
PSOROMICACID
Parellic acid, 3
NSC 92186
Spectrum_000493
SpecPlus_000286
Spectrum2_000214
Spectrum3_000160
Spectrum4_001484
Spectrum5_000187
10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid
7SWA85EH4H
NCIOpen2_009926
BSPBio_001900
KBioGR_002087
KBioSS_000973
cid_23725
MLS000563148
DivK1c_006382
SPBio_000227
SCHEMBL2113679
CHEBI:92074
KBio1_001326
KBio2_000973
KBio2_003541
KBio2_006109
KBio3_001120
DTXSID70223264
FUCWJKJZOHOLEO-UHFFFAOYSA-N
HMS2268L13
BDBM50056939
CCG-38361
MFCD00046941
AKOS030632334
4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxodibenzo[b,f]1,4-dioxepin-6-carboxylic acid
NCGC00178916-01
SMR000470881
HY-130199
CS-0105660
Q27163869
10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-1-benzo[b][1,4]benzodioxepincarboxylic acid
10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid
10-formyl-9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodioxepin-1-carboxylic acid
15-formyl-14-hydroxy-6-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-4-carboxylic acid