Basic information
- CAS
13512-31-7- Standard SMILES
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1- InChIKey
SLLMDHBKALJDBW-INIZCTEOSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.12632271
Names & identifiers
- Preferred name
- N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester
- IUPAC
- methyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
- English name
- Z-Tyr-OMe
- Molecular formula
- C18H19NO5
- Molecular weight
- 329.35
Names & synonyms
N-((Phenylmethoxy)carbonyl)-L-tyrosine methyl esterN-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl esterRefChem:823216z-tyr-ome13512-31-7N-Cbz-L-tyrosine methyl esterMFCD00038784methyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoateMethyl ((benzyloxy)carbonyl)-L-tyrosinateN-benzyloxycarbonyl-L-tyrosine methyl esterDTXSID30426678Z-L-Tyr-OMe
Show more names
Z-L-TYROSINE METHYL ESTERCbz-L-Tyr-OMeZ-TYROSINE-OMEZ-TYR-OME USP/EP/BPCBZ-L-TYROSINE METHYL ESTERZ-L-tyrosine methyl ester99%
methyl(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate(S)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoateCBZ-Tyr-OMeZ-Tyr-OCH3cbz-tyrosine methyl esterMETHYL (2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-(4-HYDROXYPHENYL)PROPANOATESCHEMBL2402461AKOS016842279
Database identifiers
- CAS
13512-31-7- PubChem CID
- 7010613
- DTXSID
DTXSID30426678- EC Number
- 603-895-1
- Nikkaji
- J514.104D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 93 · 93-97 °C(lit.)
- Boiling point
- 528.1 · 528.1±50.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 9.75 · 9.75±0.15(Predicted)
- form
- Solid
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D +48°, c = 1 in chloroform
- CAS DataBase Reference
- 13512 · 13512-31-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 2922498590 · 2922498590
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26424
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
13 records
Compound notes
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