Methyl 3-iodo-4-isopropylbenzoate
Names and Identifiers of Methyl 3-iodo-4-isopropylbenzoate
CAS Number |
100127-58-0 |
|---|---|
IUPAC Name |
methyl 3-iodo-4-propan-2-ylbenzoate |
InChI |
InChI=1S/C11H13IO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3 |
InChIKey |
VIUQYXQVBWXXBV-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)C1=C(C=C(C=C1)C(=O)OC)I |
Physical and chemical properties of Methyl 3-iodo-4-isopropylbenzoate
Boiling Point |
328.251ºC at 760 mmHg |
|---|---|
Density |
1.525g/cm3 |
Exact Mass |
303.99600 |
Flash Point |
152.321ºC |
Index of Refraction |
1.567 |
LogP |
3.20120 |
Molecular Formula |
C11H13IO2 |
Molecular Weight |
304.12400 |
PSA |
26.30000 |
Vapour Pressure |
0mmHg at 25°C |
Applications of Methyl 3-iodo-4-isopropylbenzoate
Methyl 3-iodo-4-isopropylbenzoate has several applications:
- Medicinal Chemistry: It serves as an intermediate in the synthesis of various pharmaceutical compounds.
- Organic Synthesis: The compound is utilized in synthesizing more complex organic molecules due to its reactive functional groups.
- Research: It is used in studies related to receptor inhibition and other biological evaluations.
Interaction Studies of Methyl 3-iodo-4-isopropylbenzoate
Interaction studies have demonstrated that methyl 3-iodo-4-isopropylbenzoate can bind to specific biological targets, influencing pathways related to cell signaling and growth. For instance, it has shown potential in inhibiting discoidin domain receptors, which are involved in cellular processes such as adhesion and migration. These interactions highlight its importance in drug design and development efforts aimed at treating diseases like cancer.
Biological Activity of Methyl 3-iodo-4-isopropylbenzoate
Research indicates that methyl 3-iodo-4-isopropylbenzoate exhibits biological activity that may be relevant in pharmacological contexts. Specifically, it has been evaluated for its potential as an inhibitor of discoidin domain receptors, which are implicated in various pathological conditions including cancer. The compound's structural properties enable it to interact with biological targets, suggesting a role in therapeutic applications.
Physical sample testing spectrum (NMR) of Methyl 3-iodo-4-isopropylbenzoate
Cas:24830-44-2
