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3-(5-tert-Butyl-4-hydroxy-3-bromophenyl)-2-propenenitrile

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Identification
Molecular formula
C14H13BrN2O
CAS number
109010-42-0
IUPAC name
2-[(3-bromo-5-tert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile
State
State

At room temperature, this compound typically exists in a solid state. It is stable and maintains its integrity under standard conditions unless exposed to significant thermal or chemical influences.

Melting point (Celsius)
193.00
Melting point (Kelvin)
466.15
Boiling point (Celsius)
338.00
Boiling point (Kelvin)
611.15
General information
Molecular weight
292.17g/mol
Molar mass
292.1480g/mol
Density
1.3389g/cm3
Appearence

The compound is typically a solid crystalline material. The color can range from light yellow to a pale brown shade, indicating its purity. It generally lacks a distinct odor under standard conditions.

Comment on solubility

Solubility Characteristics of 2-[(3-bromo-5-tert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile

In examining the compound 2-[(3-bromo-5-tert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile (C14H13BrN2O), we find an intriguing profile when it comes to solubility. This compound presents various interactions due to its distinct functional groups and molecular structure:

  • Polarity: The presence of the hydroxy group (−OH) suggests that part of the molecule can engage in hydrogen bonding, enhancing solubility in polar solvents such as water.
  • Hydrophobic Characteristics: The tert-butyl and brominated aryl groups contribute to hydrophobicity, potentially limiting solubility in aqueous environments.
  • Solvent Compatibility: This compound is likely to exhibit greater solubility in organic solvents such as ethanol, acetone, or dichloromethane.
  • Temperature Effects: As with many organic compounds, solubility can significantly increase with rising temperatures, making it more favorable in heated solvents.

It should also be noted that the solubility of this compound may depend on the specific conditions, such as pH and the presence of other solutes, influencing its interaction with solvents. Thus, while the hydroxy group hints at some water solubility, the overall structure suggests a more considerable affinity for non-polar solvents, leading to a fascinating balance of hydrophilicity and hydrophobicity inherent in this compound.

Interesting facts

Interesting Facts about 2-[(3-bromo-5-tert-butyl-4-hydroxy-phenyl)methylene]propanedinitrile

This compound, with its intricate structure, presents a fascinating study in organic chemistry. Here are some intriguing points about it:

  • Substituted Phenol: The compound features a phenyl group that is heavily substituted, incorporating a bromine atom and a tert-butyl group. This configuration not only enhances steric hindrance but also influences the compound's reactivity.
  • Potential Applications: Compounds of this nature may exhibit interesting properties as dyes or pigments due to their conjugated structure, which can facilitate electron delocalization. As such, they could be significant in various chemical industries.
  • Hydroxyl Group Impact: The presence of the hydroxy (-OH) group contributes to the compound's potential for hydrogen bonding, which can alter solubility and reactivity compared to similar compounds without this feature.
  • Reactivity Trends: The methylene linkage with the propanedinitrile component adds additional roles in a variety of chemical reactions, including nucleophilic additions and substitutions, which are important in synthesizing more complex molecules.
  • Amino Acid Analogs: The structural characteristics of this compound allow for exploration in the chemistry of amino acids, and its derived products might exhibit bioactive properties worth researching.

This compound encapsulates a blend of functional groups and structural features, making it a subject of interest for further investigations and applications in various fields of science.

Synonyms
65678-07-1
Tyrphostin AG 1024
ag1024
AG-1024
AG 1024
2-(3-Bromo-5-(tert-butyl)-4-hydroxybenzylidene)malononitrile
2-(3-bromo-5-tert-butyl-4-hydroxybenzylidene)malononitrile
2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
NF4XN6A8V9
CHEMBL2218926
AGS 200
DTXSID50274350
2-((3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene)propanedinitrile
ABBADGFSRBWENF-UHFFFAOYSA-N
MFCD02179365
Tyrphostin AG-1024
UNII-NF4XN6A8V9
AG-1024 (Tyrphostin)?
MLS006011281
GTPL5912
SCHEMBL10144541
CHEBI:93757
AGS-200
DTXCID80225830
HMS3229A03
HMS3654L05
BCP06692
EX-A1791
BDBM50198773
HSCI1_000032
2-[[3-Bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile
AKOS022186424
CCG-101297
CS-1032
SDCCGSBI-0086724.P004
propanedinitrile, [[3-bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-
NCGC00346684-01
NCGC00346684-08
AC-32999
AS-56991
DA-70633
HY-10253
SMR004703031
S1234
SW219171-1
T6068
C76059
3-bromo-5-tert-butyl-4-hydroxybenzylidenemalononitrile
AG 1024 - CAS 65678-07-1
BRD-K08310154-001-01-2
BRD-K08310154-001-03-8
Q27074330
2-[(3-bromo-4-hydroxy-5-tert-butyl-phenyl)methylidene]propanedinitrile
Propanedinitrile, [[3-bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]- (9CI)
Propanedinitrile, 2-[[3-bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-
AG 1024; AGS 200; [[3-Bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile; 2-[[3-Bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile