Ethyl-L-tyrosinathydrochlorid
TEE · Tyr-Oet Hcl · H-TYR-OET HCL · L-Tyr-OEt.HCL · H-L-Tyr-OEt*HCl · TYROSINE-OET HCL · L-Tyrosine ethyl est · L-TYROSINE ETHYL ESTER HCL
Identifikatoren & physikalische Daten
| CAS No. | 4089-07-0 |
|---|---|
| Summenformel | C11H16ClNO3 |
| Durchschnittliche Molmasse | 245,7 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | Ethyl-L-tyrosinathydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 72,6 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 200 |
| Lebensmittelzusatzstoffe | Use unspecified -> FDA Substance added to food |
| Schmelzpunkt | 166-170 °C |
| Brechungsindex | -6.5 ° (C=2, H2O) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.Soluble in water (3.685e+005 mg/L @ 25°C (est.)). |
| Aggregatzustand | powder to crystal |
| Farbe | 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 (Verteilungskoeffizient) | 1.060 (est) |
| CAS Datenbank | 4089-07-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29225090 |
| RTECS-Nr. | YP2580000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
Anwendungen & Verwendung
Verwenden
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.
Herstellung & Synthese
synthetische
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 ° .