(3R,4R)-4-Acetoxy-3-((R)-(tert-butyldimethylsilyloxy)ethyl)-2-azetidinone
Grundinformationen
- CAS
76855-69-1- Standard-SMILES
CC(=O)O[C@H]1NC(=O)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C- InChIKey
GWHDKFODLYVMQG-HLUHBDAQSA-N- Summenformel
- C13H25NO4Si
- Durchschnittliche Molmasse
- 287,43 g/mol
- Monoisotopische Masse
- 287,15528481
Namen und Bezeichner
- Bevorzugter Name
- (3R,4R)-4-Acetoxy-3-((R)-(tert-butyldimethylsilyloxy)ethyl)-2-azetidinone
- IUPAC
- [(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
- Englischer Name
- (3S,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy)ethyl]azetidin-2-one
- Summenformel
- C13H25NO4Si
- Molmasse
- 287.43
Namen und Synonyme
RefChem:401044(3R,4R)-4-Acetoxy-3-((R)-(tert-butyldimethylsilyloxy)ethyl)-2-azetidinone(3R,4R)-4-Acetoxy-3-[(R)-(tert-butyldimethylsilyloxy)ethyl]-2-azetidinone623-445-8(3s,4r)-4-acetoxy-3-[(r)-1-(tert-butyldimethylsilyloxy)ethyl]azetidin-2-one85954-95-6(2R,3S)-3-((R)-1-((tert-Butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-yl acetateC13H25NO4SiSCHEMBL1143665(2R,3S)-3-((R)-1-((tert-Butyldimethylsilyl)-oxy)ethyl)-4-oxoazetidin-2-yl acetateAKOS015901618(2R,3S)-3-((R)-1-((tert-Butyldimethylsilyl)oxy)ethyl)-4-oxoazetidin-2-ylacetate
Weitere Namen anzeigen
4-AA4-ACETOXYAZETIDIN-2-ONEAzetidon(3R,4R)-4-ACETOXY-3-[(R)-(T-BUTYLDIMETHYLSILYLOXY)ETHYL]-2-AZETIDINONE(3R,4R)-4-ACETOXY-3-[(R)-1-(TERT-BUTYLDIMETHYLSILYLOXY)ETHYL]AZETIDIN-2-ONE(2R,3R)-3-((R)-1-(tert-butyldimethylsiloxy)ethyl)-4-oxoazetidin-2-yl acetate4-AOSA(3R<4AA(AOSA)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 64,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 375
Physikochemische Eigenschaften
- Schmelzpunkt
- 107 · 107-109 °C(lit.)
- Siedepunkt
- 358.3 · 358.3±27.0 °C(Predicted)
- Dichte
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- almost transparency in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 12.86 · 12.86±0.60(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C13H25NO4Si/c1-8(18-19(6,7)13(3,4)5)10-11(16)14-12(10)17-9(2)15/h8,10,12H,1-7H3,(H,14,16)/t8-,10+,12-/m1/s1
- InChIKey
- GWHDKFODLYVMQG-UBHAPETDSA-N
- SMILES
- N1[C@H](OC(C)=O)[C@@H]([C@H](O[Si](C(C)(C)C)(C)C)C)C1=O
- CAS Datenbank
- 76855 · 76855-69-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Aquatic Chronic 2 (100%)
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29337900
- risk_code
- 36-43-51/53
- hazard_code
- Xi,N
- safety_code
- 24-26-37-61
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2Skin Sens. 1
Chemie und Industrie
Anwendungen
Verwenden(3S,4R)-4-Acetoxy-3-[(R)-1-(tert-butyldimethylsilyloxy)ethyl]azetidin-2-one is an acetoxyazetidinone derivative used as an intermediate in the preparation of carbapenem antibiotics.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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