N-Boc-trans-4-hydroxy-L-prolinol
Grundinformationen
- CAS
61478-26-0- Standard-SMILES
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1CO- InChIKey
UFJNFQNQLMGUTQ-JGVFFNPUSA-N- Summenformel
- C10H19NO4
- Durchschnittliche Molmasse
- 217,26 g/mol
- Monoisotopische Masse
- 217,13140809
Überblick
See also: (-)-N-Boc-L-4-hydroxyprolinol (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- N-Boc-trans-4-hydroxy-L-prolinol
- IUPAC
- tert-butyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
- Englischer Name
- Boc-Hyp-ol
- Summenformel
- C10H19NO4
- Molmasse
- 217.26
Namen und Synonyme
N-Boc-trans-4-hydroxy-L-prolinolRefChem:8293521,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate676-616-461478-26-0BOC-HYP-OL(2S,4R)-TERT-BUTYL 4-HYDROXY-2-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATEtert-butyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylateMFCD02094386(2S,4R)-1-Boc-4-hydroxy-2-(hydroxymethyl)pyrrolidine(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-(hydroxymethyl)pyrrolidine(2S,4R)-4-Hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
Weitere Namen anzeigen
BOC-TRANS-4-HYDROXY-L-PROLINOLBoc-HydroxyprolinolBOC-HYP-OL USP/EP/BPBoc-L-hydroxyprolinolBOC-PRO(4-HYDROXY)-OLBoc-trans-4-hydroxy-L
(2S,4R)-N-Boc-4-hydroxy-2-(hydroxymethyl)pyrrolidinetert-Butyl (2S,4R)-4-hydroxy-2-hydroxymethylpyrrolidine-1-carboxylate(2S,4R)-tert-Butyl 4-Hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate; N-Boc-trans-4-hydroxy-L-prolinol; tert-Butyl (2S,4R)-4-Hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate; tert-Butyl (2S,4R)-4-Hydroxy-2-hydroxymethylpyrrolidine-1-carboxylateSCHEMBL584549N-Boc-(2S,4R)-4-hydroxy-2-hydroxymethylpyrrolidineUFJNFQNQLMGUTQ-JGVFFNPUSA-DTXSID20460900(4R)-1-Boc-4-hydroxy-L-prolinol
Datenbank-Bezeichner
- CAS
61478-26-0- PubChem CID
- 11275979
- DTXSID
DTXSID20460900- EC Number
- 676-616-4
- Nikkaji
- J25.944F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 70 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 236
Physikochemische Eigenschaften
- Schmelzpunkt
- 81 · 81-86 °C (lit.)
- Siedepunkt
- 340.3 · 340.3±27.0 °C(Predicted)
- Dichte
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 14.57 · 14.57±0.40(Predicted)
- Farbe
- White
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m0/s1
- InChIKey
- UFJNFQNQLMGUTQ-JGVFFNPUSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)C[C@H](O)C[C@H]1CO
- CAS Datenbank
- 61478 · 61478-26-0(CAS DataBase Reference)
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
Warning
H315 (100%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenBOC-HYP-OL is a useful reactant used in the preparation of 4-purinylpyrrolidine nucleosides, kinase inhibitors and antibacterial agents.
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