BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE
- Product Name
- BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE
- CAS No.
- 17701-61-0
- Chemical Name
- BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE
- Synonyms
- Benzyl 3-Hydroxy-2,2-dimethylpropionate;BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE;benzyl 2,2-dimethyl-3-hydroxypropanoic acid;Propanoic acid, 3-hydroxy-2,2-dimethyl-, phenylmethyl ester;Propanoic acid, 2-(hydroxymethyl)-2-methyl-, phenylmethyl ester
- CBNumber
- CB62453004
- Molecular Formula
- C12H16O3
- Formula Weight
- 208.25
- MOL File
- 17701-61-0.mol
BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE Property
- Boiling point:
- 117-118 °C(Press: 0.1 Torr)
- Density
- 1.100±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.16±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H227Combustible liquid
H302Harmful if swallowed
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B297063
- Product name
- Benzyl3-Hydroxy-2,2-dimethylpropanoate
- Packaging
- 50mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 2070CY
- Product name
- Benzyl3-hydroxy-2,2-dimethylpropanoate
- Packaging
- 5g
- Price
- $309
- Updated
- 2021/12/16
- Product number
- CHM0384252
- Product name
- BENZYL-3-HYDROXY-2,2-DIMETHYLPROPANOATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $504.26
- Updated
- 2021/12/16
- Product number
- A239634
- Product name
- Benzyl3-hydroxy-2,2-dimethylpropanoate
- Purity
- 97%
- Packaging
- 250mg
- Price
- $24
- Updated
- 2021/12/16
- Product number
- A239634
- Product name
- Benzyl3-hydroxy-2,2-dimethylpropanoate
- Purity
- 97%
- Packaging
- 1g
- Price
- $54
- Updated
- 2021/12/16
BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE Chemical Properties,Usage,Production
Synthesis
4835-90-9
100-39-0
17701-61-0
The general procedure for the synthesis of benzyl 2,2-dimethyl-3-hydroxypropionate from 2,2-dimethyl-3-hydroxypropionic acid and benzyl bromide was as follows: 2,2-dimethyl-3-hydroxypropionic acid (10.0 g) was dissolved in N,N-dimethylformamide (150 mL). Potassium bicarbonate (10.2 g) was added to this solution, followed by dropwise addition of benzyl bromide (10.7 mL). The reaction mixture was stirred at room temperature for 16 hours. Upon completion of the reaction, water (300 mL) was added to the mixture and extracted with a mixture of hexane and ethyl acetate (1:4, 200 mL x 2, by volume). The organic phases were combined and washed with saturated aqueous sodium chloride solution (200 mL) and subsequently dried over anhydrous magnesium sulfate. After filtration to remove the desiccant, the solvent was concentrated under reduced pressure to remove the solvent. The crude product obtained was purified by silica gel column chromatography (using medium-pressure preparative liquid chromatography, W-prep 2XY system manufactured by Yamazen Corporation; column: main column 4L, injection column 3L; eluent: hexane/ethyl acetate = 1:0 to 1:1, gradient time 15 min; fractionation mode GR) to afford the target product 2,2-dimethyl-3- benzyl hydroxypropionate (17.6 g, 100% yield). The product was confirmed by TLC (Rf value: 0.39, unfolding agent was n-hexane/ethyl acetate=3:1) and NMR (CDCl3, δ: 7.29-7.41 (m, 5H), 5.15 (s, 2H), 3.57 (d, J=6.3 Hz, 2H), 1.22 (s, 6H)).
References
[1] Patent: US2013/245074, 2013, A1. Location in patent: Paragraph 0391-0394
[2] Journal of the American Chemical Society, 2002, vol. 124, # 34, p. 9966 - 9967
[3] Patent: EP1544208, 2005, A1. Location in patent: Page/Page column 43
[4] Patent: EP1452526, 2004, A1. Location in patent: Page 55
[5] Tetrahedron, 2014, vol. 70, # 3, p. 590 - 596
BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE Preparation Products And Raw materials
Raw materials
Preparation Products
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