(9S,9''S)-9,9''-((2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy))bis(10,11-dihydro-6'-methoxycinchonan)
Grundinformationen
- CAS
149725-81-5- Standard-SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nc(-c2ccccc2)nc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c1-c1ccccc1)c1ccnc2ccc(OC)cc12- InChIKey
SWKRDCRSJPRVNF-DOGDSVMGSA-N- Summenformel
- C56H60N6O4
- Durchschnittliche Molmasse
- 881,1 g/mol
- Monoisotopische Masse
- 880,4676044
Namen und Bezeichner
- Bevorzugter Name
- (9S,9''S)-9,9''-((2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy))bis(10,11-dihydro-6'-methoxycinchonan)
- IUPAC
- 4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline
- Englischer Name
- (DHQD)2PYR
- Summenformel
- C56H60N6O4
- Molmasse
- 881.11
Namen und Synonyme
149725-81-5RefChem:405601(9S,9''S)-9,9''-((2,5-Diphenyl-4,6-pyrimidinediyl)bis(oxy))bis(10,11-dihydro-6'-methoxycinchonan)(DHQD)2Pyr(DHQD)2-PYR(1S,1'S,3R,3'R,4S,4'S,6R,6'R)-6,6'-((1S,1'S)-((2,5-Diphenylpyrimidine-4,6-diyl)bis(oxy))bis((6-methoxyquinolin-4-yl)methylene))bis(3-ethylquinuclidine)MFCD001981084-[(R)-[(2S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinoline4-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxyquinolineHydroquinidine-2,5-diphenyl-4,6-pyri-midinediyl dietherC56H60N6O4(DHQD)2Pyr, 97%
Weitere Namen anzeigen
(DHQD)2Pyr 97%(DHQD)2PYR ISO 9001：2015 REACH2,5-Diphenyl-4,6-bis(dihydroquinidine)pyrimidine
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 11,2
- Polarare Oberfläche (TPSA)
- 95 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 66
- Formalladung
- 0
- Komplexität
- 1.440
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 · 247-250 °C(lit.)
- Dichte
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.5 · 9.50±0.70(Predicted)
- InChIKey
- SWKRDCRSJPRVNF-RLASZCQWNA-N
- SMILES
- CC[C@H]1CN2CCC1CC2[C@@H](Oc3nc(nc(O[C@H](C4CC5CCN4C[C@@H]5CC)c6ccnc7ccc(OC)cc67)c3-c8ccccc8)-c9ccccc9)c%10ccnc%11ccc(OC)cc%10%11
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 38 reports by companies from 1 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden(DHQD)2Pyr may be used:To catalyze the enantioselective allylic amination of alkylidene cyanoacetates with dialkyl azodicarboxylates.To prepare 10(R),11-Dihydroxydihydroquinine and 10(S),11-dihydroxydihydroquinine via the Sharpless catalytic asymmetric dihydroxylation.In the total synthesis of okadaic acid, a protein phosphatase inhibitor.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter72 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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