(S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid
Grundinformationen
- CAS
45214-91-3- Standard-SMILES
COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
OHYMUFVCRVPMEY-ZETCQYMHSA-N- Summenformel
- C11H19NO6
- Durchschnittliche Molmasse
- 261,27 g/mol
- Monoisotopische Masse
- 261,12123733
Namen und Bezeichner
- Bevorzugter Name
- (S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid
- IUPAC
- (2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
- Englischer Name
- Boc-Glu(OMe)-OH
- Summenformel
- C11H19NO6
- Molmasse
- 261.27
Namen und Synonyme
(S)-2-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acidRefChem:407858863-129-9BOC-GLU(OME)-OH45214-91-3Boc-L-Glutamic acid gamma-methyl esterN-Boc-L-glutamic acid 5-methyl esterMFCD00190794L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 5-methyl ester(2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acidBP-12380(2S)-2-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid
Weitere Namen anzeigen
N-Boc-L-glutamic acid-5-methylesterBoc-L-Glu(OMe)-OHt-Boc-L-Glu(OMe)-OHBOC-GLU(OME)-OH USP/EP/BP45214-91-3 BOC-GLU(OME)-OHCarglumic Acid Impurity 16N-Boc-L-glutamic acid 5-methylBOC-L-glutamate-5-methyl esterBoc-Glu(OMe)-OH Boc-Glu(OMe)-OH
EN300-1090628N-tert-Butoxycarbonylglutamic acid ?-methyl esterN-[(1,1-dimethylethoxy)carbonyl]-L-glutamic acid 5-methyl ester(25)-2-[(tert-butoxy)carbonylamino]-4-(methoxycarbonyl)butanoic acid(2S)-2-[(tert-butoxycarbonyl)amino]-5-methoxy-5-oxopentanoic acidAMY25476N-tert-Butoxycarbonylglutamic Acid gamma-Methyl Ester; N-[(1,1-Dimethylethoxy)carbonyl]-L-glutamic Acid 5-Methyl Ester;A2V5TMV62U
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 320
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 · 74-77 °C
- Siedepunkt
- 428.4 · 428.4±40.0 °C(Predicted)
- Dichte
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 3.82 · 3.82±0.10(Predicted)
- Farbe
- White
- InChI
- InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-/m0/s1
- InChIKey
- OHYMUFVCRVPMEY-ZETCQYMHSA-N
- SMILES
- C(O)(=O)[C@H](CCC(OC)=O)NC(OC(C)(C)C)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.
Warning
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34334
Hazard Classes and CategoriesAcute Tox. 4 (40%)
Sicherheitsdaten
- hs_code
- 2924190090
Chemie und Industrie
Anwendungen
VerwendenN-Boc-L-glutamic Acid 5-Methyl Ester is an intermediate used in the synthesis of Isodesmosine Chloride Hydrate (Synthetic) (I815051), which is a component of elastin and also it is extremely hygroscopic and must be stored over a desiccant such as silica gel.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…