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ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate

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Identification
Molecular formula
C17H15BrN2O5
CAS number
123456-78-9
IUPAC name
ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate
State
State

At room temperature, ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate is in a solid state, appearing as a crystalline substance.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.00
Boiling point (Celsius)
305.00
Boiling point (Kelvin)
578.00
General information
Molecular weight
420.26g/mol
Molar mass
420.2590g/mol
Density
1.4300g/cm3
Appearence

This compound is typically observed as a crystalline solid with a pale yellow to off-white appearance.

Comment on solubility

Solubility of Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate

Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate, with the chemical formula C17H15BrN2O5, presents a distinct profile in terms of solubility due to its complex structure. Understanding its solubility parameters involves considering several key factors:

  • Polarity: The presence of polar functional groups, such as the carboxylate and amino groups, suggests that the compound may exhibit some degree of solubility in polar solvents.
  • Hydrophobic characteristics: The ethyl and bromo substituents contribute to hydrophobic interactions, which may limit solubility in water but enhance solubility in organic solvents.
  • Solvent compatibility: The compound is likely to be more soluble in organic solvents such as ethanol or dimethyl sulfoxide (DMSO) than in aqueous solutions.

As noted in research, compounds with structural intricacies like ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate may display varying solubility behaviors:

  1. High solubility: In solvents like methanol or acetone.
  2. Moderate solubility: In dimethylformamide (DMF) and acetonitrile.
  3. Low solubility: In water, given its considerable hydrophobic portions.

It is essential to recognize that the specific solubility characteristics can vary based on temperature and pH conditions. Overall, the solubility of this compound is a fascinating topic for chemists, highlighting the intricate balance between hydrophilic and hydrophobic interactions that govern compound behavior in different environments.

Interesting facts

Exploring Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate

Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate is a fascinating compound that combines elements of organic synthesis with pharmacological potential. Here are some intriguing aspects of this complex molecule:

  • Diverse Functional Groups: This compound features a rich array of functional groups, including an amino group, a carboxylate, and an ethoxy group. This structural diversity can lend itself to various chemical reactivities and possible applications.
  • Role of Bromine: The presence of bromine in the structure not only influences the compound's reactivity but could also enhance biological activity, as brominated compounds often exhibit unique interactions with biological targets.
  • Cyanogenic Components: The incorporation of a cyano group (–C≡N) opens up pathways for further derivatization and can significantly impact the compound's electronic properties, making it a valuable intermediate in organic synthesis.
  • Chromene Backbone: The chromene structure is a hallmark in medicinal chemistry due to its prevalence in numerous bioactive compounds, suggesting this molecule might harbor unexplored therapeutic effects.
  • Potential Applications: With structural motifs commonly found in pharmaceuticals, this compound could potentially lead to the development of new drugs targeting various diseases. Research has highlighted chromene derivatives for their anti-inflammatory, anti-cancer, and analgesic properties.

In summary, ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate stands out as a compound rich in *scientific intrigue* and *pharmaceutical potential*. It reflects the beauty of organic chemistry, where intricate structures can lead to vast possibilities in research and application.

Synonyms
ha14-1
65673-63-4
Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
HA 14-1
MFCD00218213
Ethyl [2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)]-4H-chromene-3-carboxylate
HA 141
927635-64-1
HA-14-1
Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylate
(alphaR,4R)-rel-2-amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-aceticacid,ethylester
SR-01000511000
Maybridge1_000786
BSPBio_001583
KBioGR_000303
KBioSS_000303
(Rac)-HA14-1
SCHEMBL1427458
CHEBI:94328
HMS543L16
KBio2_000303
KBio2_002871
KBio2_005439
KBio3_000605
KBio3_000606
DTXSID20274403
EX-A148
SXJDCULZDFWMJC-UHFFFAOYSA-N
Bio2_000303
Bio2_000783
HMS1361P05
HMS1791P05
HMS1989P05
HMS3268C09
HMS3414M05
HMS3678M05
BCP01804
BTB 02933
HSCI1_000186
HY-12011A
NSC720569
AKOS007930839
BCP9000758
CCG-233971
HA14-1?
NSC-720569
2-Amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acid ethyl ester
IDI1_034053
SMP2_000039
NCGC00025207-02
NCGC00025207-03
NCGC00025207-04
NCGC00025207-05
NCGC00025207-06
NCGC00025207-12
NCGC00025207-15
NCGC00025207-16
AC-32822
NCI60_041312
PS-10256
DB-011974
HA 14-1, >=95% (CHN/NMR), powder
SR-01000511000-1
SR-01000511000-2
BRD-A13807286-001-03-9
BRD-A13807286-001-07-0
Q27166151
2-Amino-6-bromo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acidethyl ester
2-AMino-6-broMo-alpha-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-aceticacidethylester
Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4-H-chromene-3-carboxylate
(| inverted exclamation markR,4R)-rel-2-amino-6-bromo-|A-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acid, ethyl ester
2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester