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[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

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Identification
Molecular formula
C42H28N6O11
CAS number
412040-87-0
IUPAC name
[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
State
State

At room temperature, [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate is in a solid state, characterized by a crystal-like powder. The compound maintains stability under normal conditions, remaining in solid form without sublimation or significant changes.

Melting point (Celsius)
245.00
Melting point (Kelvin)
518.15
Boiling point (Celsius)
527.00
Boiling point (Kelvin)
800.15
General information
Molecular weight
777.77g/mol
Molar mass
777.7710g/mol
Density
1.3400g/cm3
Appearence

[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate appears as a crystalline solid with a white to off-white color. The compound's structure consists of a cyclohexyl ring fully esterified with pyridine-3-carboxylate groups, adding to its intricate and symmetric appearance. This molecular structure contributes to its characteristic crystalline form.

Comment on solubility

Solubility of [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate

The solubility of the compound C42H28N6O11 is an intriguing aspect that warrants discussion. This complex organic molecule contains multiple functional groups that can significantly influence its solubility profile. Here are some key points to consider:

  • Polarity: The presence of pyridine and carboxylate groups tends to increase the polarity of the molecule, which can enhance its solubility in polar solvents such as water.
  • Hydrogen Bonding: The carboxylate functional groups can engage in hydrogen bonding with solvent molecules, potentially facilitating better solubility.
  • Solvent Interaction: Depending on the nature of the solvent, this compound may exhibit varying degrees of solubility. For instance:
          • Highly soluble in polar protic solvents (e.g., ethanol, methanol)
          • Limited solubility in nonpolar solvents (e.g., hexane, toluene)
  • Concentration and Temperature Effects: As with many organic compounds, solubility can also be affected by concentration and temperature, shifting from low to high solubility at increased temperatures.

In conclusion, the solubility characteristics of [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate are complex and dependent on multiple factors. Its unique structure suggests a tendency toward better solubility in carefully chosen solvents, making it a subject worthy of further investigation.

Interesting facts

Interesting Facts about [2,3,4,5,6-Pentakis(pyridine-3-carbonyloxy)cyclohexyl] Pyridine-3-carboxylate

This intriguing compound, featuring multiple pyridine rings, represents a significant category of chemical compounds known for their versatile properties and potential applications in various fields of science. Here are some captivating aspects of this compound:

  • Structural Complexity: The compound is characterized by its complex architecture, made up of a cyclohexyl core adorned with five pyridine-3-carbonyloxy groups. This elaborate structure allows for an array of interactions with other molecules, making it a candidate for diverse applications.
  • Potential Applications: Due to the presence of pyridine moieties, this compound may exhibit unique *biological activities*, positioning it as a subject of interest in medicinal chemistry, particularly in the design of new pharmaceuticals.
  • Chemical Properties: Pyridine derivatives are often associated with *catalytic properties*, which could make this compound useful in organic synthesis and catalysis, enhancing reaction rates or selectivity.
  • Research Interests: The study of such compounds is on the rise in *materials science*, where they may serve as ligands in coordination chemistry, paving the way for the development of novel materials with tailored properties.

"The intricate balance of structure and function in such compounds catalyzes innovation across multiple scientific domains."

In summary, [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate is not just a chemical entity but a gateway into the multifaceted world of chemistry where interdisciplinary research continues to thrive.

Synonyms
Inositol nicotinate
Inositol niacinate
6556-11-2
inositol hexanicotinate
myo-Inositol hexanicotinate
Mesotal
Dilexpal
Hexanicotol
Hexanicit
Esantene
Mesonex
Dilcit
Hexopal
Linodil
Palohex
Hexanicotinoyl inositol
Hamovannid
myo-Inositol, hexa-3-pyridinecarboxylate
Win 9154
Inositol niacinate [USAN]
Nicotinato de inositol
Hamovannad
Inositol nicotinate [INN]
NSC-49506
Palohex (TN)
cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
A99MK953KZ
Nicotinate d'inositol
CHEBI:31699
Inositoli nicotinas [INN-Latin]
WIN-9154
1,2,3,5/4,6 Cyclohexanehexol hexanicotinate
Nicotinate d'inositol [INN-French]
EINECS 229-485-9
mesoinositol hexanicotinate
INOSITOL, HEXANICOTINATE, myo-
Nicotinato de inositol [INN-Spanish]
Inositol nicotinate (INN)
Inositol niacinate (USAN)
BRN 0077649
[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
INOSITOL NIACINATE [MI]
DTXSID2023147
INOSITOL NICOTINATE [MART.]
NSC49506
INOSITOL NICOTINATE [WHO-DD]
(1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
Inositoli nicotinas
5-22-02-00067 (Beilstein Handbook Reference)
Inositol hexanicotinate (JAN)
Inositoli nicotinas (INN-Latin)
3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester
INOSITOL NICOTINATE (MART.)
inositolniacinate
Nicotinate d'inositol (INN-French)
INOSITOL HEXANICOTINATE [JAN]
Nicotinato de inositol (INN-Spanish)
rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
inositol hexaniacinate
myo-Inositol hexa-3-pyridinecarboxylate
cyclohexane-1,2,3,4,5,6-hexayl hexapyridine-3-carboxylate
Inositolo nicotinato [DCIT]
Niacinol
Nicotinic acid, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol
inositol nicotinates
Inositolo nicotinato
MFCD00006387
NSC 49506
inositol-hexanicotinate
myo-Inosithexanicotinat
1,2,3,54,6 Cyclohexanehexol hexanicotinate
meso-inositol hexanicotinate
UNII-A99MK953KZ
SCHEMBL122590
SCHEMBL122591
Inositol nicotinate (Standard)
DTXCID503147
CHEMBL1094982
SCHEMBL13557040
CHEBI:33064
CHEBI:50134
DTXSID10859980
MFZCIDXOLLEMOO-UHFFFAOYSA-N
NSC81283
NSC-81283
s4987
AKOS015951374
AKOS015960653
AC-8131
DB08949
HY-122365R
MI33322
NCGC00532507-01
497820-05-0
AS-13351
HY-122365
CS-0084450
NS00003184
NS00082344
Inositol niacinate;myo-Inositol hexanicotinate
D01813
D70660
SBI-0654079.0001
EN300-19997221
SR-01000883744
Q6036641
SR-01000883744-1
BRD-K00566342-001-01-0
BRD-K82800842-001-01-9
2,3,4,5,6-Pentakis((3-pyridinylcarbonyl)oxy)cyclohexyl nicotinate
(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
rel-(1R,2r,3S,4R,5s,6S)-Cyclohexane-1,2,3,4,5,6-hexaylhexanicotinate
Nicotinic acid, ester, with 1,2-trans, 3-cis, 4-trans, 5-cis, 6-cis-cyclohexanehexol
(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl pyridine-3-carboxylate
2090-94-0
229-485-9