4-Iodobenzaldehyde
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4-Iodobenzaldehyde is an aromatic halobenzaldehyde derivative and synthetic intermediate. 4-Iodobenzaldehyde is used for the synthesis of various bioactive molecules such as chalcones, heterocycles, receptor antagonists and channel blockers.
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- Pureza : 99.93%
- No. CAS: 15164-44-0
- Fòrmula: C7H5IO
- Peso molecular:232.02
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Almacenamiento:
4°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Actividad biológica
Descripciòn
In Vitro
4-Iodobenzaldehyde undergoes three distinct reactions: it reacts quantitatively with 2-tert-butylpropane-1,3-dithiol to form a dithiane intermediate; it undergoes palladium-catalyzed coupling with trimethylsilylacetylene followed by desilylation to yield 4-ethynylbenzaldehyde (a precursor of GABA-gated chloride channel blockers); and it undergoes palladium-catalyzed coupling with methyl 3-butynoate to produce 4-(4-methoxycarbonyl-1-butynyl) benzaldehyde (a precursor of cis isomers)[1].
4-Iodobenzaldehyde (12 mmol; 3 h) reacts with 2-(3',4'-dimethoxyphenyl) ethylamine in anhydrous toluene at 100 °C for 3 h to produce 4-iodobenzyl-[2-(3',4'-dimethoxyphenyl)-ethyl]imine with a yield of 62%[2].
4-Iodobenzaldehyde undergoes a reflux condensation reaction with aminopyrazole 48 in acetonitrile in the presence of a catalytic amount of iodine, yielding pyrimidinone 50 at an 86% yield[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
Chemical Information
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No. CAS 15164-44-0
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Appearance Solid
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Peso molecular 232.02
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Fòrmula C7H5IO
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Color White to light yellow
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SMILES
O=CC1=CC=C(I)C=C1
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
4°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Solvente y solubilidad
In Vitro:
DMSO : 100 mg/mL (431.00 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Pureza y Documentación
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Ficha de datos (274 KB)
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SDS (394 KB)
- English - EN (394 KB)
- Français - FR (394 KB)
- Deutsch - DE (394 KB)
- Norwegian - NO (394 KB)
- Español - ES (394 KB)
- Swedish - SV (394 KB)
- Italian - IT (394 KB)
- Korean - KR (394 KB)
- Portuguese - PT (394 KB)
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Instrucciones de manejo (2659 KB)
Referencias
[1]. Li QX, et al. Structure-activity studies leading to potent chloride channel blockers: 5e-tert-Butyl-2-[4-(substituted-ethynyl)phenyl]-1,3-dithianes. Bioorg Med Chem. 1994;2(12):1423-1434. [Content Brief]
[3]. Gasonoo M, et al. Discovery of an orally efficacious Pyrazolo [3, 4-d] pyrimidine benzoxaborole as a potent inhibitor of cryptosporidium. Journal of medicinal chemistry. 2024 Dec 23;68(1):832-49. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 4.3100 mL | 21.5499 mL | 43.0997 mL | 107.7493 mL |
| 5 mM | 0.8620 mL | 4.3100 mL | 8.6199 mL | 21.5499 mL | |
| 10 mM | 0.4310 mL | 2.1550 mL | 4.3100 mL | 10.7749 mL | |
| 15 mM | 0.2873 mL | 1.4367 mL | 2.8733 mL | 7.1833 mL | |
| 20 mM | 0.2155 mL | 1.0775 mL | 2.1550 mL | 5.3875 mL | |
| 25 mM | 0.1724 mL | 0.8620 mL | 1.7240 mL | 4.3100 mL | |
| 30 mM | 0.1437 mL | 0.7183 mL | 1.4367 mL | 3.5916 mL | |
| 40 mM | 0.1077 mL | 0.5387 mL | 1.0775 mL | 2.6937 mL | |
| 50 mM | 0.0862 mL | 0.4310 mL | 0.8620 mL | 2.1550 mL | |
| 60 mM | 0.0718 mL | 0.3592 mL | 0.7183 mL | 1.7958 mL | |
| 80 mM | 0.0539 mL | 0.2694 mL | 0.5387 mL | 1.3469 mL | |
| 100 mM | 0.0431 mL | 0.2155 mL | 0.4310 mL | 1.0775 mL |
4-Iodobenzaldehyde Related Classifications
HY-W002179 Related Classifications
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