4-Acetyl-benzoic acid tert-butyl ester
- Product Name
- 4-Acetyl-benzoic acid tert-butyl ester
- CAS No.
- 105580-41-4
- Chemical Name
- 4-Acetyl-benzoic acid tert-butyl ester
- Synonyms
- ert-Butyl 4-acetylbenzoate;tert-Butyl 4-acetylbenzoate;1,1-Dimethylethyl 4-acetylbenzoate;4-Acetyl-benzoic acid tert-butyl ester;Benzoic acid, 4-acetyl-, 1,1-dimethylethyl ester
- CBNumber
- CB22582784
- Molecular Formula
- C13H16O3
- Formula Weight
- 220.26
- MOL File
- 105580-41-4.mol
4-Acetyl-benzoic acid tert-butyl ester Property
- Melting point:
- 56.5-57.5 °C
- Boiling point:
- 90-100 °C(Press: 0.1 Torr)
- Density
- 1.056±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C13H16O3/c1-9(14)10-5-7-11(8-6-10)12(15)16-13(2,3)4/h5-8H,1-4H3
- InChIKey
- QXQXBZLXIAUIBG-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)C1=CC=C(C(C)=O)C=C1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- T135755
- Product name
- tert-Butyl4-Acetylbenzoate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 126193
- Product name
- tert-Butyl4-acetylbenzoate
- Purity
- >95%
- Packaging
- 1g
- Price
- $165
- Updated
- 2021/12/16
- Product number
- 1259AA
- Product name
- tert-Butyl4-acetylbenzoate
- Packaging
- 5g
- Price
- $325
- Updated
- 2021/12/16
- Product number
- CHM0394146
- Product name
- TERT-BUTYL-4-ACETYLBENZOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $501.66
- Updated
- 2021/12/16
- Product number
- CM159143
- Product name
- tert-Butyl4-acetylbenzoate
- Purity
- 95+%
- Packaging
- 25g
- Price
- $718
- Updated
- 2021/12/16
4-Acetyl-benzoic acid tert-butyl ester Chemical Properties,Usage,Production
Synthesis
79-37-8
586-89-0
105580-41-4
(1) 4-Acetylbenzoic acid (100 g) was suspended in 500 mL of dichloromethane. To this suspension 64 mL of oxalyl chloride and 4.7 mL of N,N-dimethylformamide were slowly added at room temperature and the mixture was stirred for 2 hours at room temperature. Upon completion of the reaction, the reaction solution was concentrated under reduced pressure and the residue was dissolved with 250 mL of chloroform and 175 mL of tert-butanol. Subsequently, 156 mL of pyridine was slowly added dropwise to this solution under cooling in an ice bath, keeping the reaction temperature at about 12°C. After the dropwise addition was completed, the reaction mixture was stirred at room temperature for 30 minutes and subsequently concentrated under reduced pressure. The concentrated residue was dissolved in toluene and the organic layer was washed sequentially with 2M hydrochloric acid, saturated aqueous sodium bicarbonate and brine. The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. Hexane was added to the concentrated residue and the mixture was stirred under cooling in an ice bath. The precipitated crystals were collected by filtration, washed with cold hexane and dried under vacuum to give tert-butyl 4-acetylbenzoate as a white solid (96.82 g, yield 69%). The melting point of the product was 59-60°C.
References
[1] Patent: EP1403252, 2004, A1. Location in patent: Page 8
4-Acetyl-benzoic acid tert-butyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Acetyl-benzoic acid tert-butyl ester manufacturers
- Product
- 4-Acetyl-benzoic acid tert-butyl ester 105580-41-4
- Price
- US $2.00/KG
- Min. Order
- 1g
- Purity
- 98%min
- Supply Ability
- ask
- Release date
- 2020-01-08