L-チロシンエチル塩酸塩
L-チロシンエチル塩酸塩 · L-チロシンエチルエステル塩酸塩 · L-チロシンエチルエステル塩酸塩 (JAN) · L-チロシンエチル・塩酸塩 · TEE · Tyr-Oet Hcl · H-TYR-OET HCL · L-Tyr-OEt.HCL
識別子と物理属性
| CAS No. | 4089-07-0 |
|---|---|
| 分子式 | C11H16ClNO3 |
| 平均分子量 | 245.7 g/mol |
| 単同位体質量 | 245.08187105 g/mol |
| SMILES | CCOC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl |
| InChIKey | BQULAXAVRFIAHN-PPHPATTJSA-N |
| PubChem CID | 2724939 |
| ChEMBL | CHEMBL2107700 |
| EC No. | 223-820-2 |
| DTXSID | DTXSID401351454 |
| 現地名 | L-チロシンエチル塩酸塩 |
化学・物理的性質
| 極性表面積 | 72.6 |
|---|---|
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 5 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 200 |
| 食品添加物 | Use unspecified -> FDA Substance added to food |
| 融点 | 166-170 °C |
| 比旋光度 | [α]D20 +26～+30° (c=5, C2H5OH) |
| 屈折率 | -6.5 ° (C=2, H2O) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.水に可溶 (3.685e+005 mg/L @ 25°C (推定))。 |
| 外観・状態 | powder to crystal |
| 色 | White to Almost white |
| BRN | 4725904 |
| InChI | InChI=1/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H31H/t10-/s3 |
| InChIKey | BQULAXAVRFIAHN-PPHPATTJSA-N |
| SMILES | C(OCC)(=O)[C@H](CC1C=CC(O)=CC=1)N.[H]Cl |&1:5,r| |
| LogP（分配係数） | 1.060 (est) |
| CAS データベース | 4089-07-0(CAS DataBase Reference) |
化学的特性
White to off-white microcrystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.WarningH315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (71.4%) |
| 水環境危害等級（WGK） | 2 |
| RTECS 番号 | YP2580000 |
| 税関コード | 29225090 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 22-24/25-37/39-26 |
用途
使用
L-Tyrosine Ethyl Ester Hydrochloride is used as a medical and organic intermediate and as an important amino protective agent. It is also used to introduce t-Boc protect gene.
製法・合成法
製造方法
synthesis of L-Tyrosine Ethyl Ester Hydrochloride: Esterification of 25 g. ol L-tyrosine (0.014 mole) with ethanolic hydrogen chloride gave 24.1 g. of L-tyrosine ethyl ester hydrochloride (80%). Liberation of the ester by slurrying the hydrochloride in chloroform rollowed by the addition of chloroform saturated with ammonia, removal of the ammonium chloride by filtration and evaporation of the chloroform gave 19.4 g. of L-tyrosine ethyl ester (67%), m.p. 106-108 ° .