L-tert-ロイシン
L-tert-ロイシン · (2S)-2-アミノ-3,3-ジメチルブタン酸 · (-)-L-tert-ロイシン · (2S)-2-アミノ-3,3-ジメチル酪酸 · 3-メチルバリン · L-tert-ブチルグリシン · (-)-tert-ロイシン · (-)-L-プソイドロイシン
識別子と物理属性
| CAS No. | 20859-02-3 |
|---|---|
| 分子式 | C6H13NO2 |
| 平均分子量 | 131.17 g/mol |
| 単同位体質量 | 131.09462866 g/mol |
| SMILES | CC(C)(C)[C@H](N)C(=O)O |
| InChIKey | NPDBDJFLKKQMCM-SCSAIBSYSA-N |
| PubChem CID | 164608 |
| EC No. | 424-750-7 |
| DTXSID | DTXSID001017204 |
| 現地名 | L-tert-ロイシン |
化学・物理的性質
| XLogP | -1.8 |
|---|---|
| 極性表面積 | 63.3 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 115 |
| 融点 | ≥300 °C (lit.) |
| 比旋光度 | 6.3 º (c=4, 6 N HCl 200 ºC) |
| 沸点 | 217.7±23.0 °C(Predicted) |
| 密度 | 1.1720 (estimate) |
| 屈折率 | -9 ° (C=3, H2O) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | 1 M HCl: 50 mg/mL125.5g/L(20℃) |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 2.39±0.12(Predicted) |
| 色 | 白～ほぼ白 |
| BRN | 1721824 |
| 主な用途 | ペプチド合成 |
| InChI | 1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1 |
| InChIKey | NPDBDJFLKKQMCM-SCSAIBSYSA-N |
| SMILES | CC(C)(C)[C@H](N)C(O)=O |
| CAS データベース | 20859-02-3(CAS DataBase Reference) |
化学的特性
White to almost white powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.Not ClassifiedAggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Status: Active Update: 22-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32457L-Valine, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | OH2850000 |
| 税関コード | 29224999 |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 22-24/25 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
解説
タンパク質を構成するアミノ酸の一種，(CH3)2CHCH2CH(NH2)COOH．残基の略記号Leu，さらに簡略化するときはL．
用途
有機合成原料。
用途
高純度キラル試薬。全商品について光学純度を測定したクロマトチャ－トを添付しており、99%e.e.以上を保証しています。
使用
L-tert-Leucine is an essential amino acid and makes up one third of our muscle protein. It can be used as a food additive. It is used in the formation of sterols. It is used in the production of cobalt oxazoline palladacycles complex, which acts as a catalyst in the rearrangement of prochiral N-aryl trifluoroacetimidates to allylic amides yielded in significantly higher enantioselectivities with the (S)-(pR)-diasteroisomer.
一般的な説明
L-tert-Leucine (L-Tle) is an essential non-natural amino acid often used as a template to induce asymmetric synthesis, and the product has high stereoselectivity. It is a non-polar amino acid, and its tert-butyl group has significant hydrophobicity and steric hindrance, which can control molecular conformation in a chemical reaction and form a chiral compound. Hence, L-tert-leucine is commonly used as an inducer or a template in asymmetric synthesis. As a vital chiral intermediate, L-tert-leucine is widely used to synthesise anti-cancer, anti-viral, and biological inhibitors. In addition, L-tert-leucine is an essential additive in the food and cosmetic industry[1].