85102-99-4
1-Benzyl-1H-imidazole-5-carboxaldehyde
CAS: 85102-99-4
Molecular Formula: C11H10N2O
85102-99-4 - Names and Identifiers
| Name | 1-Benzyl-1H-imidazole-5-carboxaldehyde |
| Synonyms | AKOS BB-8933 3-benzylimidazole-4-carbaldehyde 1-BENZYLIMIDAZOLE-5-CARBALDEHYDE 3-BENZYL-3H-IMIDAZOLE-4-CARBALDEHYDE 1-BENZYL-1H-IMIDAZOLE-5-CARBALDEHYDE 1-BENZYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE 3-Benzyl-3H-iMidazole-4-carboxaldehyde 1-Benzyl-1H-imidazole-5-carboxaldehyde 1H-imidazole-5-carboxaldehyde, 1-(phenylmethyl)- |
| CAS | 85102-99-4 |
| InChI | InChI=1/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2 |
85102-99-4 - Physico-chemical Properties
| Molecular Formula | C11H10N2O |
| Molar Mass | 186.21 |
| Density | 1.12±0.1 g/cm3(Predicted) |
| Melting Point | 46-49°C |
| Boling Point | 201-203 °C(Press: 23 Torr) |
| Flash Point | 185.843°C |
| Solubility | DCM |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Solid |
| Color | Pale Yellow |
| pKa | 3.65±0.13(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | 1.592 |
85102-99-4 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36 - Irritating to the eyes R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| Hazard Note | Irritant/Keep Cold |
| Hazard Class | IRRITANT |
85102-99-4 - Introduction
It is an organic compound whose chemical formula is C11H9N2O. The following is a description of the properties, uses, preparation and safety information of the compound:
Nature:
is a solid, white crystalline powder appearance. It has a faint smell of mint or mint heavy grass type. The compound is soluble in ketone and alcohol solvents, but less soluble in water.
Use:
It is an organic synthesis intermediate commonly used in the synthesis of compounds such as pharmaceuticals, pesticides, dyes and optical materials. It can also be used to prepare coordination compounds, ligands and catalysts.
Preparation Method:
can be obtained by the reaction of acetanilide with acetone under alkali catalysis. The specific synthetic route is as follows:
1) reacting acetanilide with acetone to generate 1-benzyl -2-acetonamine;
2) 1-benzyl -2-acetone amine is reacted with excess hydrazine hydrate and sodium hydride in ethanol to generate 1-benzyl -2-pyruvic aldehyde;
3) React 1-benzyl -2-pyruvic aldehyde with tert-butylamine and formaldehyde in acetic acid to generate a pyridine.
Safety Information:
Regarding the safety of the compound, general laboratory safety regulations need to be followed when using and handling the compound. It may be irritating to the eyes and skin and potentially allergenic. Direct contact and inhalation of dust from the compound should be avoided during operation. Appropriate personal protective equipment, such as lab gloves, safety glasses and laboratory coats, should be used. If contact or inhalation occurs, immediately flush the affected area with water and seek medical assistance.
Nature:
is a solid, white crystalline powder appearance. It has a faint smell of mint or mint heavy grass type. The compound is soluble in ketone and alcohol solvents, but less soluble in water.
Use:
It is an organic synthesis intermediate commonly used in the synthesis of compounds such as pharmaceuticals, pesticides, dyes and optical materials. It can also be used to prepare coordination compounds, ligands and catalysts.
Preparation Method:
can be obtained by the reaction of acetanilide with acetone under alkali catalysis. The specific synthetic route is as follows:
1) reacting acetanilide with acetone to generate 1-benzyl -2-acetonamine;
2) 1-benzyl -2-acetone amine is reacted with excess hydrazine hydrate and sodium hydride in ethanol to generate 1-benzyl -2-pyruvic aldehyde;
3) React 1-benzyl -2-pyruvic aldehyde with tert-butylamine and formaldehyde in acetic acid to generate a pyridine.
Safety Information:
Regarding the safety of the compound, general laboratory safety regulations need to be followed when using and handling the compound. It may be irritating to the eyes and skin and potentially allergenic. Direct contact and inhalation of dust from the compound should be avoided during operation. Appropriate personal protective equipment, such as lab gloves, safety glasses and laboratory coats, should be used. If contact or inhalation occurs, immediately flush the affected area with water and seek medical assistance.
Last Update：2024-04-09 21:54:55
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