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[ CAS No. 217972-87-7 ] {[proInfo.proName]}

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Chemical Structure| 217972-87-7
Chemical Structure| 217972-87-7
Structure of 217972-87-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 217972-87-7 ]

CAS No. :217972-87-7 MDL No. :MFCD18382675
Formula : C14H20N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 248.32 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 217972-87-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 217972-87-7 ]
  • Downstream synthetic route of [ 217972-87-7 ]

[ 217972-87-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 217972-87-7 ]
  • [ 1001401-60-0 ]
Reference: [1] Patent: WO2016/20404, 2016, A1,
[2] Patent: WO2016/20405, 2016, A1,
  • 2
  • [ 217972-87-7 ]
  • [ 1001401-61-1 ]
  • [ 1001401-60-0 ]
YieldReaction ConditionsOperation in experiment
> 95 % ee Resolution of racemate SCHEME B <n="34"/>Ci?) or (S) - benzyl 5-methyl-l,4-diazepane-l-carboxylate fB-2)A 3.0 g (12 mmol) racemic mixture of B-I (prepared by a route analogous to that used for A-2, with the substitution of benzyl chloroformate for allyl chloro formate) was separated into its enatiomers by chrial HPLC utilizing a 10 cm Chiralpak AD column with 15percent of 1 :1 MeOH/EtOH and 85percent hexanes (modified with 0.1percent diethylamine) with a flow rate of 200 mL/min. Under these conditions, 1.14 g of the first eluting enantiomer was obtained in > 95percent ee, and 1.15 g of the second eluting enantiomer was obtained in > 95percent ee. The first eluting enantiomer is designated B-2 and was carried on to provide the desired compounds.
Reference: [1] Patent: WO2008/8518, 2008, A1, . Location in patent: Page/Page column 33
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