HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester
CBZ-Tyr-OMe · Z-L-TYROSINE METHYL ESTER · methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate · Z-Tyr-OMe · Z-L-Tyr-OMe · Cbz-L-Tyr-OMe · Z-TYROSINE-OME · Z-TYR-OME USP/EP/BP
![N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester molecular structure](/img/chemical/7010613.png)
Identifiers & Physical Properties
| CAS No. | 13512-31-7 |
|---|---|
| Molecular formula | C18H19NO5 |
| Average molar mass | 329.3 g/mol |
| Monoisotopic mass | 329.12632271 g/mol |
| SMILES | COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 |
| InChIKey | SLLMDHBKALJDBW-INIZCTEOSA-N |
| PubChem CID | 7010613 |
| EC No. | 603-895-1 |
| DTXSID | DTXSID30426678 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 84.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 400 |
| Melting point | 93-97 °C(lit.) |
| Boiling point | 528.1±50.0 °C(Predicted) |
| Density | 1.249±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| pKa (acidity coefficient) | 9.75±0.15(Predicted) |
| Physical state | Solid |
| Appearance | White to off-white Solid |
| optical activity | [α]20/D +48°, c = 1 in chloroform |
| CAS DataBase Reference | 13512-31-7(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Water hazard class (WGK) | 3 |
| Customs code | 2922498590 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26424 |
| Hazard Classes and Categories | Not Classified |
| Water hazard class (WGK) | 3 |
| Customs code | 2922498590 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
N-Cbz-L-tyrosine Methyl Ester is used in preparation of optically active Imidazolidione derivatives from N-Benzyloxycarbonyl-tyrosine Ester via Ethylation, reduction and successive treatment with Methanesulfonyl Chloride, Ethylenediamine and Lithium Hydroxide.