| Identification | Back Directory | [Name]
Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6R)- | [CAS]
2166206-19-3 | [Synonyms]
Mirogabalin RSR-isomer
Mirogabalin Impurity 5
Mirogabalin Impurity 2 Monomer
Bicyclo[3.2.0]hept-3-ene-6-acetic acid, 6-(aminomethyl)-3-ethyl-, (1R,5S,6R)-
2-((1R,5S,6R)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid | [Molecular Formula]
C12H19NO2 | [MOL File]
2166206-19-3.mol | [Molecular Weight]
209.28 |
| Questions And Answer | Back Directory | [Preparation]
In reports on the synthesis of diastereomers of milobalin benzenesulfonate, a method for synthesizing Mirogabalin Impurity N84 is mentioned. Specifically, [(1R,5S,6R)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]tert-butyl acetate is hydrolyzed under acidic conditions at room temperature, and the pH is adjusted to obtain the target product, Mirogabalin Impurity N84. This substance can be reacted with benzenesulfonic acid in water at room temperature to prepare diastereomers of milobalin benzenesulfonate. This synthetic method has high reaction yield, high product purity, and is simple to operate, providing an impurity reference for quality studies of milobalin benzenesulfonate. |
| Chemical Properties | Back Directory | [Boiling point ]
357.5±15.0 °C(Predicted) | [density ]
1.104±0.06 g/cm3(Predicted) | [pka]
4.65±0.10(Predicted) | [InChI]
InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12+/m1/s1 | [InChIKey]
FTBQORVNHOIASH-FOGDFJRCSA-N | [SMILES]
[C@]12([H])[C@]([H])([C@](CN)(CC(O)=O)C1)C=C(CC)C2 |
| Hazard Information | Back Directory | [Uses]
Mirogabalin Impurity N84, whose chemical name is (1R,5S,6R)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-ene-6-acetic acid, is a diastereomeric impurity of the active ingredient in Mirogabalin. This substance is primarily used for quality control and analysis of Mirogabalin. |
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TOSUN PHARM
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020-66392521-118 18922260391 |
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www.toref.cn/ |
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