5-isoxazolecarboxylic acid, 3-(3-methoxyphenyl)-
3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid
CAS: 883546-38-1
Molecular Formula: C11H9NO4
5-isoxazolecarboxylic acid, 3-(3-methoxyphenyl)- - Names and Identifiers
5-isoxazolecarboxylic acid, 3-(3-methoxyphenyl)- - Physico-chemical Properties
| Molecular Formula | C11H9NO4 |
| Molar Mass | 219.19 |
| Density | 1.310±0.06 g/cm3(Predicted) |
| Boling Point | 452.0±35.0 °C(Predicted) |
| pKa | 2.20±0.10(Predicted) |
| Storage Condition | Room Temprature |
| Sensitive | Irritant |
| MDL | MFCD06805563 |
5-isoxazolecarboxylic acid, 3-(3-methoxyphenyl)- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Class | IRRITANT |
5-isoxazolecarboxylic acid, 3-(3-methoxyphenyl)- - Introduction
3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid is an organic compound whose chemical formula is C11H9NO4. The following is an introduction to its nature, use, preparation and safety information:
Nature:
-Appearance: 3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid is a white to pale yellow solid.
-Solubility: It is soluble in common solvents such as chloroform, dimethyl sulfoxide.
-Melting point: Its melting point is 117-119°C.
Use:
- 3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid is commonly used as an intermediate in organic synthesis for the synthesis of other compounds.
-It can also be used as a precursor for drugs and pesticides and has a wide range of applications.
Preparation Method:
- 3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid can be prepared by the following synthetic route:
1.3-hydroxybenzoic acid is reacted with acetone nitrile to obtain 3-(3-hydroxyphenyl) propionitrile.
2.3-(3-hydroxyphenyl) propionitrile is converted into 3-(3-aminophenyl) propionitrile by amide conversion.
3.3-(3-aminophenyl) propionitrile is methanolated by alkylation to give 3-(3-methoxyphenyl) propionitrile.
4. Finally, 3-(3-methoxyphenyl) propionitrile is subjected to a cyclization reaction to obtain the target product.
Safety Information:
- 3-(3-Methoxy-phenyl)-Specific safety assessment of isoxazole-5-carboxylic acid requires detailed experimental data. As an organic compound, it may have some toxicity. When using or handling the compound, follow relevant laboratory safety practices and avoid contact with skin, eyes and inhalation.
Nature:
-Appearance: 3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid is a white to pale yellow solid.
-Solubility: It is soluble in common solvents such as chloroform, dimethyl sulfoxide.
-Melting point: Its melting point is 117-119°C.
Use:
- 3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid is commonly used as an intermediate in organic synthesis for the synthesis of other compounds.
-It can also be used as a precursor for drugs and pesticides and has a wide range of applications.
Preparation Method:
- 3-(3-Methoxy-phenyl)-isoxazole-5-carboxylic acid can be prepared by the following synthetic route:
1.3-hydroxybenzoic acid is reacted with acetone nitrile to obtain 3-(3-hydroxyphenyl) propionitrile.
2.3-(3-hydroxyphenyl) propionitrile is converted into 3-(3-aminophenyl) propionitrile by amide conversion.
3.3-(3-aminophenyl) propionitrile is methanolated by alkylation to give 3-(3-methoxyphenyl) propionitrile.
4. Finally, 3-(3-methoxyphenyl) propionitrile is subjected to a cyclization reaction to obtain the target product.
Safety Information:
- 3-(3-Methoxy-phenyl)-Specific safety assessment of isoxazole-5-carboxylic acid requires detailed experimental data. As an organic compound, it may have some toxicity. When using or handling the compound, follow relevant laboratory safety practices and avoid contact with skin, eyes and inhalation.
Last Update：2024-04-09 21:00:56
