Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester
tert-butyl 4-bromobenzoate
CAS: 59247-47-1
Molecular Formula: C11H13BrO2
Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester - Names and Identifiers
| Name | tert-butyl 4-bromobenzoate |
| Synonyms | tert-Butyl p-BroMobenzoate TERT-BUTYL-4-BROMOBENZOATE tert-butyl 4-bromobenzoate 4-Bromobenzoic acid tert-butyl ester 4-BroMobenzoic Acid 1,1-DiMethylethyl Ester Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester Benzoic acid, 4-bromo-, 1,1-dimethylethyl ester |
| CAS | 59247-47-1 |
| InChI | InChI=1/C11H13BrO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3 |
Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester - Physico-chemical Properties
| Molecular Formula | C11H13BrO2 |
| Molar Mass | 257.12 |
| Density | 1.331±0.06 g/cm3(Predicted) |
| Boling Point | 91-92 °C(Press: 1.2 Torr) |
| Flash Point | 133.4°C |
| Vapor Presure | 0.00139mmHg at 25°C |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.529 |
Benzoic acid, 4-broMo-, 1,1-diMethylethyl ester - Introduction
tert-butyl 4-bromobenzoate is an organic compound with the chemical formula C11H13BrO2. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: tert-butyl 4-bromobenzoate as a white crystalline solid.
-Solubility: It can be dissolved in organic solvents, such as ethanol, chloroform and dichloromethane.
-Melting point: about 70-73 ℃.
-Boiling point: about 290-291 ℃.
Use:
- tert-butyl 4-bromobenzoate is often used as a reagent and intermediate in organic synthesis.
-It can be used to synthesize other compounds, such as drugs, pesticides, coatings and dyes.
Preparation Method:
The common preparation method of tert-butyl 4-bromobenzoate is obtained by the esterification reaction of benzyl acetate. Specific steps are as follows:
1. Benzyl bromide is obtained by reacting benzyl acetate with bromine in the presence of potassium carbonate.
2. Benzyl bromide reacts with tert-butanol under acidic conditions to generate tert-butyl benzyl ether.
3. Reaction of tert-butyl benzyl ether with silver nitrate to give tert-butyl 4-bromobenzoate.
Safety Information:
- tert-butyl 4-bromobenzoate should be used in accordance with laboratory safety practices.
-It may be irritating to the eyes, skin and respiratory system, so wear appropriate protective equipment such as gloves, glasses and protective face masks during operation.
-Avoid inhalation or contact with skin to avoid discomfort.
-Observe chemical safety practices when storing and handling, and store in a dry, well-ventilated place.
Nature:
-Appearance: tert-butyl 4-bromobenzoate as a white crystalline solid.
-Solubility: It can be dissolved in organic solvents, such as ethanol, chloroform and dichloromethane.
-Melting point: about 70-73 ℃.
-Boiling point: about 290-291 ℃.
Use:
- tert-butyl 4-bromobenzoate is often used as a reagent and intermediate in organic synthesis.
-It can be used to synthesize other compounds, such as drugs, pesticides, coatings and dyes.
Preparation Method:
The common preparation method of tert-butyl 4-bromobenzoate is obtained by the esterification reaction of benzyl acetate. Specific steps are as follows:
1. Benzyl bromide is obtained by reacting benzyl acetate with bromine in the presence of potassium carbonate.
2. Benzyl bromide reacts with tert-butanol under acidic conditions to generate tert-butyl benzyl ether.
3. Reaction of tert-butyl benzyl ether with silver nitrate to give tert-butyl 4-bromobenzoate.
Safety Information:
- tert-butyl 4-bromobenzoate should be used in accordance with laboratory safety practices.
-It may be irritating to the eyes, skin and respiratory system, so wear appropriate protective equipment such as gloves, glasses and protective face masks during operation.
-Avoid inhalation or contact with skin to avoid discomfort.
-Observe chemical safety practices when storing and handling, and store in a dry, well-ventilated place.
Last Update：2024-04-09 20:49:11
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