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CAS RN: 2005487-65-8 | Product Number: H1748
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|Purity / Analysis Method||>98.0%(T)(HPLC)|
|Molecular Formula / Molecular Weight||C__2__5H__2__2BrOP = 449.33|
|Physical State (20 deg.C)||Solid|
|Store Under Inert Gas||Store under inert gas|
|Condition to Avoid||Hygroscopic|
|Reaxys Registry Number||30225436|
|PubChem Substance ID||468592026|
|Appearance||White to Almost white powder to crystaline|
|Purity(HPLC)||min. 98.0 area%|
|Purity(Argentometric Titration)||min. 98.0 %|
|Melting Point||290 °C|
|Hazard Statements||H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
|Precautionary Statements||P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ eye protection/ face protection.
P302 + P352 : IF ON SKIN: Wash with plenty of water.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P362 + P364 : Take off contaminated clothing and wash it before reuse.
P332 + P313 : If skin irritation occurs: Get medical advice/ attention.
The solution of 1-phenylethane-1,2-diol (0.20 g, 1.4 mmol), isobutyric anhydride (0.34 g, 2.1 mmol), MeTAPS-Br (65 mg, 0.14 mmol), and triethylamine (0.29 g, 2.9 mmol) in toluene (2 mL) was stirred for 2 h at room temperature under nitrogen atmosphere. The reaction mixture was directly purified by column chromatography (1 : 10 ethyl acetate / hexane on SiO2), giving 2-hydroxy-2-phenylethyl isobutyrate as colorless oil (0.22 g, 73% yield).
The reaction mixture was monitored by 1H NMR.
The acylation selectivity was (1°-OH) : (2°-OH) = 97 : 3 (mol ratio) after the reaction.
The undesired 2°-OH product was removed by column chromatography.
Analytical Data（2-Hydroxy-2-phenylethyl isobutyrate）
1H NMR (400 MHz, CDCl3); δ 7.43-7.28 (m, 5H), 4.96 (dd, J = 8.2, 3.7 Hz, 1H), 4.29 (dd, J = 11.7, 3.4 Hz, 1H), 4.19 (dd, J = 11.5, 8.2 Hz, 1H), 2.65 (br, 1 H), 2.60 (sept, J = 6.9 Hz, 1H), 1.17 (d, J = 6.9 Hz, 6H).
13C NMR (101 MHz, CDCl3); δ 177.5, 140.0, 128.7 (2 C), 128.4, 126.3 (2 C), 72.7, 69.3, 34.1, 19.1 (2 C).
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[TCI Practical Example] Regioselective Acylation with MeTAPS-Br
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|Purity / Analysis Method:||>98.0%(T)(HPLC)|
|Purity / Analysis Method:||>98.0%(HPLC)|
|Purity / Analysis Method:||>98.0%(GC)|