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| (S)-(-)-α-メトキシ-α-(トリフルオロメチル)フェニル酢酸 製品概要 |
| (S)-(-)-α-メトキシ-α-(トリフルオロメチル)フェニル酢酸 物理性質 |
融点 | 46-49 °C(lit.) | 比旋光度 | D24 -71.8± 0.6° (c = 3.28 in CH3OH) | 沸点 | 95-97 °C0.05 mm Hg(lit.) | 比重(密度) | 1.303 g/mL at 25 °C(lit.) | 屈折率 | n20/D 1.474(lit.) | 闪点 | >230 °F | 貯蔵温度 | 2-8°C | 溶解性 | Readily soluble in hexane, ether, THF, CH2Cl2, benzene. | 酸解離定数(Pka) | 1.47±0.10(Predicted) | 外見 | Viscous Liquid or Low Melting Solid | 比重 | 1.303 | 色 | Clear colorless or white | 光学活性 (optical activity) | [α]20/D 73±1°, c = 2% in methanol | Sensitive | Hygroscopic | Merck | 14,6280 | BRN | 3591561 | CAS データベース | 17257-71-5(CAS DataBase Reference) |
主な危険性 | Xi | Rフレーズ | 36/37/38 | Sフレーズ | 26-36-37/39 | WGK Germany | 3 | F | 3-10 | Hazard Note | Irritant/Keep Cold | 国連危険物分類 | IRRITANT, HYGROSCOPIC, KEEP COLD | HSコード | 29189900 |
| (S)-(-)-α-メトキシ-α-(トリフルオロメチル)フェニル酢酸 Usage And Synthesis |
外観 | 白色~ほとんど白色, 結晶又は塊, 又は融解時, 無色~ほとんど無色, 澄明の液体 | 溶解性 | メタノール及びクロロホルムに溶け、水に溶けにくい。 | 用途 | NMRにおける光学異性体比の測定。 | 化学的特性 | clear colorless viscous liquid | 使用 | (S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid is used as a chiral derivatizing agent, it reacts with an alcohol or amine of unknown stereochemistry to form an ester or amide. The absolute configuration of the ester or amide is then determined by proton and/or 19F NMR spectroscopy. | 一般的な説明 | (S)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetic acid is commonly used as a derivatizing agent in Mosher ester analysis and Mosher amide analysis, which are NMR-based methods for determining the absolute configuration of the chiral carbon center in secondary alcohols and amines, respectively. | 純化方法 | A likely impurity is phenylethylamine from the resolution. Dissolve the acid in Et2O/*benzene (3:1), wash with 0.5N H2SO4, then water, dry over magnesium sulfate, filter, evaporate and distil it. [Dale et al. J Org Chem 34 2543 1969, J Am Chem Soc 75 512 1973.] |
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