Tyrosine ethyl ester hydrochloride
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
식별자 및 물리적 특성
| CAS No. | 4089-07-0 |
|---|---|
| 분자식 | C11H16ClNO3 |
| 평균 분자량 | 245.7 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| 극성 표면적 | 72.6 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 200 |
| 식품 첨가물 | Use unspecified -> FDA Substance added to food |
| 녹는점 | 166-170 °C |
| 굴절률 | -6.5 ° (C=2, H2O) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 물에 용해됩니다(3.685e+005mg/L @ 25°C(추정)). |
| 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(분배 계수) | 1.060 (est) |
화학적 성질
White to off-white microcrystalline powder
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | YP2580000 |
| 관세 코드 | 29225090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26 |
용도
용도
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.
제조 및 합성 방법
제조 방법
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 ° .