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274693-54-8

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274693-54-8 Structure

274693-54-8 Structure
IdentificationBack Directory
[Name]

N-[(3aS,4R,6S,6aR)-Tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamic acid phenylmethyl ester
[CAS]

274693-54-8
[Synonyms]

Ticagrelor Related Compound II
Ticagrelor Related Compound 110
Ticagrelor Impurity (intermediate) TGK-10
N-[(3aS,4R,6S,6aR)-Tetrahydro-6-(2-hydroxyethoxy)-2,2-dimeth...
benzyl 6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate
N-[(3aS,4R,6S,6aR)-Tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamic acid phenylmethyl ester
CarbaMic acid, [(3aS,4R,6S,6aR)-tetrahydro-6-(2-hydroxyethoxy)-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-, phenylMethyl ester
Carbamic acid, N-[(3aS,4R,6S,6aR)-tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-, phenylmethyl ester
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C18H25NO6
[MDL Number]

MFCD22419928
[MOL File]

274693-54-8.mol
[Molecular Weight]

351.39
Chemical PropertiesBack Directory
[Boiling point ]

524.6±50.0 °C(Predicted)
[density ]

1.26
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

11.29±0.60(Predicted)
[color ]

Colourless
[InChI]

InChI=1S/C18H25NO6/c1-18(2)24-15-13(10-14(16(15)25-18)22-9-8-20)19-17(21)23-11-12-6-4-3-5-7-12/h3-7,13-16,20H,8-11H2,1-2H3,(H,19,21)/t13-,14+,15+,16-/m1/s1
[InChIKey]

OCBUGPAQVZSMFX-FXUDXRNXSA-N
[SMILES]

C(OCC1=CC=CC=C1)(=O)N[C@H]1[C@@]2([H])[C@@]([H])([C@@H](OCCO)C1)OC(C)(C)O2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H227
[Precautionary statements ]

P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Hazard InformationBack Directory
[Uses]

Benzyl ((3aS,4R,6S,6aR)-6-(2-Hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate is used as a reactant in the synthesis of Ticagrelor (T437700), a platelet aggregation inhibitor.
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