PARA NITRO BENZYL ACETOACETATE
(4-Nitrophenyl)methyl 3-oxobutanoate
CAS: 61312-84-3
Molecular Formula: C11H11NO5
PARA NITRO BENZYL ACETOACETATE - Names and Identifiers
| Name | (4-Nitrophenyl)methyl 3-oxobutanoate |
| Synonyms | PNBATAT P-nitrobenzyl Acetoacetate 4-NITROBENZYL ACETOACETATE P-NITRO BENZYL ACETOACETATE 4-nitrobenzyl 3-oxobutanoate PARA NITRO BENZYL ACETOACETATE (4-nitrophenyl)methyl 3-oxobutanoate Acetoacetic Acid 4-Nitrobenzyl Ester (4-Nitrophenyl)methyl 3-oxobutanoate |
| CAS | 61312-84-3 |
| EINECS | 612-114-3 |
| InChI | InChI=1/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3 |
PARA NITRO BENZYL ACETOACETATE - Physico-chemical Properties
| Molecular Formula | C11H11NO5 |
| Molar Mass | 237.21 |
| Density | 1.287±0.06 g/cm3(Predicted) |
| Melting Point | 45 °C |
| Boling Point | 376.5±22.0 °C(Predicted) |
| Flash Point | 170.5°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 7.21E-06mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White |
| Maximum wavelength(λmax) | ['267nm(CH2Cl2)(lit.)'] |
| pKa | 10.08±0.46(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.542 |
| MDL | MFCD00799237 |
PARA NITRO BENZYL ACETOACETATE - Introduction
(4-Nitrophenyl)methyl 3-oxobutanoate, the chemical formula is C≡Noh, and the molecular weight is 239.18g/mol. Its nature is as follows:
1. Appearance:(4-Nitrophenyl)methyl 3-oxobutanoate is a colorless to light yellow solid.
2. Solubility: It is soluble in organic solvents, such as ethanol, dimethyl ether and chloroform, but it is less soluble in water.
3. Melting point:(4-Nitrophenyl) The melting point of methyl 3-oxobutanoate is about 72-76°C.
4. Stability: It is relatively stable at room temperature, but avoid contact with strong oxidants.
The main uses of (4-Nitrophenyl)methyl 3-oxobutanoate include:
1. Chemical synthesis: It can be used as an intermediate in organic synthesis and is often used in the synthesis of other organic compounds.
2. drug research:(4-Nitrophenyl)methyl 3-oxobutanoate can be used in the field of drug research and drug synthesis.
(4-Nitrophenyl)methyl 3-oxobutanoate is generally synthesized by chemical reaction, and the specific steps are as follows:
1. First, p-nitrobenzyl alcohol reacts with acetic anhydride in an organic solvent to generate p-nitrobenzyl acetic acid.
2. Then, p-nitrobenzyl acetic acid and ethyl acetate were esterified under suitable conditions to obtain the final (4-Nitrophenyl)methyl 3-oxobutanoate.
Regarding safety information,(4-Nitrophenyl)methyl 3-oxobutanoate is an organic compound and has certain safety risks. Here are some safety tips:
1. Avoid contact: Avoid skin contact, eye contact and inhalation of dust or vapor.
2. Ventilation: When handling (4-Nitrophenyl)methyl 3-oxobutanoate, ensure that the operating place is well ventilated to avoid vapor accumulation.
3. Personal protective measures: it is recommended to wear protective gloves, protective glasses and protective masks and other personal protective equipment.
4. Storage: (4-Nitrophenyl)methyl 3-oxobutanoate should be stored in a sealed container, away from fire and oxidizing agents.
Before using and handling (4-Nitrophenyl)methyl 3-oxobutanoate, be sure to consult a chemist and read the relevant safety literature.
1. Appearance:(4-Nitrophenyl)methyl 3-oxobutanoate is a colorless to light yellow solid.
2. Solubility: It is soluble in organic solvents, such as ethanol, dimethyl ether and chloroform, but it is less soluble in water.
3. Melting point:(4-Nitrophenyl) The melting point of methyl 3-oxobutanoate is about 72-76°C.
4. Stability: It is relatively stable at room temperature, but avoid contact with strong oxidants.
The main uses of (4-Nitrophenyl)methyl 3-oxobutanoate include:
1. Chemical synthesis: It can be used as an intermediate in organic synthesis and is often used in the synthesis of other organic compounds.
2. drug research:(4-Nitrophenyl)methyl 3-oxobutanoate can be used in the field of drug research and drug synthesis.
(4-Nitrophenyl)methyl 3-oxobutanoate is generally synthesized by chemical reaction, and the specific steps are as follows:
1. First, p-nitrobenzyl alcohol reacts with acetic anhydride in an organic solvent to generate p-nitrobenzyl acetic acid.
2. Then, p-nitrobenzyl acetic acid and ethyl acetate were esterified under suitable conditions to obtain the final (4-Nitrophenyl)methyl 3-oxobutanoate.
Regarding safety information,(4-Nitrophenyl)methyl 3-oxobutanoate is an organic compound and has certain safety risks. Here are some safety tips:
1. Avoid contact: Avoid skin contact, eye contact and inhalation of dust or vapor.
2. Ventilation: When handling (4-Nitrophenyl)methyl 3-oxobutanoate, ensure that the operating place is well ventilated to avoid vapor accumulation.
3. Personal protective measures: it is recommended to wear protective gloves, protective glasses and protective masks and other personal protective equipment.
4. Storage: (4-Nitrophenyl)methyl 3-oxobutanoate should be stored in a sealed container, away from fire and oxidizing agents.
Before using and handling (4-Nitrophenyl)methyl 3-oxobutanoate, be sure to consult a chemist and read the relevant safety literature.
Last Update：2024-04-09 21:01:54
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