(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
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Grundinformationen
- CAS
133463-88-4- Standard-SMILES
c1ccc(C[C@H]2COC(C3=N[C@@H](Cc4ccccc4)CO3)=N2)cc1- InChIKey
OIEQQWQZUYZCRJ-ROUUACIJSA-N- Summenformel
- C20H20N2O2
- Durchschnittliche Molmasse
- 320,4 g/mol
- Monoisotopische Masse
- 320,15247789
Namen und Bezeichner
- Bevorzugter Name
- (S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
- IUPAC
- (4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
- Englischer Name
- 2,2'-Bis[(4S)-4-benzyl-2-oxazoline]
- Summenformel
- C20H20N2O2
- Molmasse
- 320.39
Namen und Synonyme
(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)RefChem:408280623-972-3133463-88-42,2'-Bis[(4S)-4-benzyl-2-oxazoline](4S,4'S)-4,4'-dibenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazoleMFCD00191793(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole2,2/'-BIS[(4S)-4-BENZYL-2-OXAZOLINE]AKOS0159133462,2 inverted exclamation marka-Bis[(4S)-4-benzyl-2-oxazoline]D74930
Weitere Namen anzeigen
SF140046-Bis[(4S)-4-benzyl-2-oxazoline2,2'-BIS[(4S)-4-BENZYL-2-OXAZOLINE2,2′-Bis[(4S)-4-benzyl-2-oxazoline]2,2′-Bis[(4S)-4-benzyl-2-oxazoline], CAS 133463-88-4(2S,2’S)-4,4’-Dibenzyl-2,2’,5,5’-tetrahydro-2,2’-bioxazole
2,2'-Bis[(4S)-4-benzyl-2-oxazoline], 98%AC1LF4QF(S,S)-Bn-Bisbox(S,S)-2,2'-Bis(4-benzyl-2-oxazoline)SCHEMBL12786229DTXSID40351321CS-16144SY276776
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 43,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 432
Physikochemische Eigenschaften
- Schmelzpunkt
- 129 · 129-132 °C(lit.)
- Siedepunkt
- 449.3 · 449.3±28.0 °C(Predicted)
- Dichte
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- pka
- 3.89 · 3.89±0.70(Predicted)
- BRN
- 4756827 · 4756827
- InChI
- 1S/C20H20N2O2/c1-3-7-15(8-4-1)11-17-13-23-19(21-17)20-22-18(14-24-20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m0/s1
- InChIKey
- OIEQQWQZUYZCRJ-ROUUACIJSA-N
- SMILES
- C1OC(=N[C@H]1Cc2ccccc2)C3=N[C@H](CO3)Cc4ccccc4
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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 40 reports by companies from 3 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 Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,2′-Bis[(4S)-4-benzyl-2-oxazoline] can be used as:A catalyst for the enantioselective hydrosilylation of ketones.A Schiff base ligand in the preparation of rhodium(I) and palladium(II) coordination complexes.A ligand in the formation of copper(I) halide complexes; applicable in the synthesis of coordination polymers.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter45 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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