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Methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate

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Identification
Molecular formula
C26H25NO4
CAS number
123456-78-9
IUPAC name
methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate
State
State

At room temperature, this compound is typically found in a solid state. It is characterized by a stable molecular structure allowing it to remain as a solid under standard conditions of temperature and pressure.

Melting point (Celsius)
152.00
Melting point (Kelvin)
425.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
403.49g/mol
Molar mass
403.5000g/mol
Density
1.2346g/cm3
Appearence

This compound appears as a crystalline solid. Its color can range from white to off-white or slightly yellowish, depending on the specific conditions and purity of the sample.

Comment on solubility

Solubility of Methyl 7-Benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate

The solubility of methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate can be influenced by various factors, including the presence of functional groups and the overall structure of the compound. Here are some important points regarding its solubility:

  • Non-polar nature: The butyl group contributes to a non-polar character, which may lead to lower solubility in polar solvents.
  • Hydrophilic interactions: The carboxylate group can enhance solubility in polar solvents through hydrogen bonding.
  • Solvent interactions: This compound may exhibit differential solubility in organic solvents, with increased solubility in non-polar solvents like hexane or toluene as compared to water.
  • Crystallization tendencies: Due to its complex structure, it may form stable crystalline phases which can affect solubility rates.

In summary, while the compound may have limited solubility in water due to its hydrophobic regions, it is likely to be more soluble in organic solvents. Understanding these solubility characteristics is crucial for practical applications, such as drug formulation and chemical synthesis.

Interesting facts

Exploring Methyl 7-Benzyloxy-6-butyl-4-oxo-1H-Quinoline-3-Carboxylate

Methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate is a fascinating compound within the quinoline family, known for its wide range of biological activities and synthetic versatility. Here are some intriguing details about this compound:

  • Quinoline Scaffold: The compound features a quinoline core, which is a bicyclic structure that has garnered significant interest in medicinal chemistry due to its presence in various natural products and pharmaceuticals.
  • Biological Applications: Compounds like methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate are often studied for their potential in anti-cancer, anti-inflammatory, and anti-microbial applications, making them crucial in drug discovery.
  • Synthetic Pathways: The synthesis of this compound can involve several methods, showcasing the creativity and innovation of chemists. These may include cyclization reactions, substitution reactions, and various coupling techniques.
  • Functional Groups: The structural features such as the benzyloxy and carboxylate groups play critical roles in its reactivity and interactions with biological targets, enabling diverse applications in chemical biology.
  • Spectroscopic Studies: Characterizing this compound often involves advanced spectroscopic techniques, such as NMR and mass spectrometry, which provide insight into its structural integrity and confirm its molecular identity.

In summary, methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate is a prime example of how organic chemistry can lead to potentially beneficial compounds in medicine and materials science. Each new synthesis of such compounds not only expands the existing chemical library but also opens new avenues for research and discovery. As a future scientist or chemistry enthusiast, exploring its properties and applications might provide you with valuable insights into the world of chemical research.

Synonyms
NEQUINATE
13997-19-8
Methyl benzoquate
Methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
ICI 55,052
Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate
AY-20385
DTXSID2048610
AY-20,385
ICI-55052
91ZE013933
DTXCID5028536
methylbenzoquate
237-796-6
Nequinato
Nequinatum
Statyl
Neqoinate
methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate
Nequinate (USAN)
ICI 55052
MFCD00867198
AY 20385
NCGC00181762-01
NEQUINATE [USAN]
methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate
Nequinate (for Animal)
Nequinate [USAN:INN]
Nequinatum [INN-Latin]
Nequinato [INN-Spanish]
Statoquate
Mequinate
Neoquate
Tranil
UNII-91ZE013933
EINECS 237-796-6
Methyl benzoquate, BAN
NEQUINATE [INN]
NEQUINATE [MI]
AI3-52600
AY 20,385
NEQUINATE [GREEN BOOK]
orb1299022
SCHEMBL1509158
SCHEMBL1814632
CHEMBL2104807
SCHEMBL29365503
MSK5737
CHEBI:166580
METHYL BENZOQUATE [MART.]
BCP13128
Tox21_112945
AKOS015895762
DB11433
FN40622
3-Quinolinecarboxylic acid, 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-, methyl ester
6-Butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-3-quinolinecarboxylic acid methyl ester
AC-24658
DS-16282
CAS-13997-19-8
DB-063324
HY-116433
CS-0065468
NS00024531
Nequinate, VETRANAL(TM), analytical standard
D05144
H10632
Q27271439
methyl-7-benzyloxy-6-butyl-1,4-dihydro-4-oxoquinoline-3-carboxylate
Methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate #
6-Butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-3-quinolinecarboxylic acidmethyl ester
7-Benzyloxy-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid methyl ester
Methyl 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-3-quinolinecarboxylate, 9CI
Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate, 8CI