Boc-Tyr-OMe

HCID 7019130CAS 4326-36-7

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Grundinformationen

Standard-SMILES: COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
InChIKey: NQIFXJSLCUJHBB-LBPRGKRZSA-N
Summenformel: C15H21NO5
Durchschnittliche Molmasse: 295,33 g/mol
Monoisotopische Masse: 295,14197277

Namen und Bezeichner

Bevorzugter Name: Boc-Tyr-OMe
IUPAC: methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Englischer Name: Boc-L-Tyrosine methyl ester
Summenformel: C15H21NO5
Molmasse: 295.33

Namen und Synonyme

Boc-Tyr-OMe4326-36-7DTXSID60427077RefChem:330068DTXCID50377911805-703-3Boc-L-tyrosine methyl esterN-(tert-Butoxycarbonyl)-L-tyrosine methyl esterMFCD00191181N-Boc-L-tyrosine Methyl Estermethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoatemethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Weitere Namen anzeigen

BOC-L-TYR-OMEBoc-Tyr-OMe 97%N-BOC-L-Tyr-OmeBOC-TYROSINE-OME-Tyrosine methyLBoc-L-Tyr-Ome-OHBoc-L-Tyrosine methyMethyl N-Boc-L-tyrosinate

methyl N-(tert-butoxycarbonyl)-L-tyrosinateM03336Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateN-Boc-tyrosine methyl ester(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester(S)-2-tert-Butoxycarbonylamino-3-[4-hydroxy-phenyl]-propionic acid methyl esterOctreotide Impurity 75

Datenbank-Bezeichner

CAS: 4326-36-7
PubChem CID: 7019130
DTXSID: DTXSID60427077
EC Number: 805-703-3
Nikkaji: J465.574E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 84,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 7
Schwere Atome: 21
Formalladung: 0
Komplexität: 356

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-104 °C(lit.)
Siedepunkt: 452.7 · 452.7±40.0 °C(Predicted)
Dichte: 1.169 · 1.169±0.06 g/cm3(Predicted)
Brechungsindex: 50 ° · 50 ° (C=1, MeOH)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: almost transparency in Methanol
pka: 9.75 · 9.75±0.15(Predicted)
Aggregatzustand: Powder or Crystalline Powder
Farbe: White to pale yellow
Major Application: peptide synthesis
InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
InChIKey: NQIFXJSLCUJHBB-LBPRGKRZSA-N
SMILES: C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
CAS Datenbank: 4326 · 4326-36-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.