Ethyl 2-(((3aR,4S,6R,6aS)-6-(((benzyloxy)carbonyl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetate
Grundinformationen
- CAS
866551-95-3- Standard-SMILES
CCOC(=O)CO[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@@H]2OC(C)(C)O[C@@H]21- InChIKey
LMOJGNUNTMQCBQ-MXSMSXNCSA-N- Summenformel
- C20H27NO7
- Durchschnittliche Molmasse
- 393,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-(((3aR,4S,6R,6aS)-6-(((benzyloxy)carbonyl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetate
- IUPAC
- ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate
- Englischer Name
- Acetic acid, [[(3aR,4S,6R,6aS)-tetrahydro-2,2-diMethyl-6-[[(phenylMethoxy)carbonyl]aMino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester
- Summenformel
- C20H27NO7
- Molmasse
- 393.43
Namen und Synonyme
866551-95-3Ethyl 2-(((3aR,4S,6R,6aS)-6-(((benzyloxy)carbonyl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetateTicagrelor impurity 159Acetic acid, [[(3aR,4S,6R,6aS)-tetrahydro-2,2-dimethyl-6-[[(phenylmethoxy)carbonyl]amino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl esterEthyl 2-(((3aR,4S,6R,6aS)-6-(((benzyloxy)carbonyl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)oxy)acetateethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetateEthyl 2-[[(3aR,4S,6R,6aS)-6-[(Benzyloxycarbonyl)amino]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetateMFCD28167874SCHEMBL10249663CS-M2433AKOS030524392CS-14759
Weitere Namen anzeigen
Ethyl 2-(3aR,4S,6R,6aS)-tetrahydro-2,2-dimethyl-6-(phenylmethoxy)carbonylamino-4H-cyclopenta-1,3-dioxol-4-yloxyacetateAcetic acid, 2-[[(3aR,4S,6R,6aS)-tetrahydro-2,2-dimethyl-6-[[(phenylmethoxy)carbonyl]amino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 92,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 547
Physikochemische Eigenschaften
- Siedepunkt
- 540.7 · 540.7±50.0 °C(Predicted)
- Dichte
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- pka
- 11.26 · 11.26±0.60(Predicted)
- Farbe
- Colourless
Chemie und Industrie
Anwendungen
VerwendenEthyl 2-[[(3aR,4S,6R,6aS)-6-[(Benzyloxycarbonyl)amino]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate is used as a reactant in the synthesis of Ticagrelor (T437700), a platelet aggregation inhibitor.
Anbieter30 Anbieter
天津始加生物医药科技有限公司15022261580 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…