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[ CAS No. 58632-95-4 ] {[proInfo.proName]}

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Chemical Structure| 58632-95-4
Chemical Structure| 58632-95-4
Structure of 58632-95-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 58632-95-4 ]

CAS No. :58632-95-4 MDL No. :MFCD00001863
Formula : C13H14N2O3 Boiling Point : -
Linear Structure Formula :(CH3)3COCO2NC6H5CCN InChI Key :-
M.W : 246.26 Pubchem ID :-
Synonyms :

Safety of [ 58632-95-4 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P210-P240-P241-P280-P370+P378 UN#:1325
Hazard Statements:H228 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 58632-95-4 ]

* 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 [ 58632-95-4 ]
  • Downstream synthetic route of [ 58632-95-4 ]

[ 58632-95-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 58632-95-4 ]
  • [ 4152-09-4 ]
  • [ 174799-52-1 ]
YieldReaction ConditionsOperation in experiment
96% at 20℃; for 72 h; 55 (15.861 g, 105.58 mmol) was dissolved in eOH at rt. To this stirred solution was added 2-(tert- butoxycarbonyloxyimino)-2-phenylacetonitrile (26.00g, 105.58 mmol, 1 eq), in portions, allowing dissolution before next addition. The resulting yellow solution was stirred at rt for 3 days (over weekend) before removal of all volatiles under reduced pressure. The crude residue was dissolved in EtOAc (300 mL) before washing with aq. 1 NaOH (2 x 100 mL). The combined aqueous layers were again washed with EtOAc (100 mL). Combining and concentrating the organic portions gave 29.8g of crude product. This was further purified by FCC (eluent DCIWPE 1 :1 to load column, continued until impurities wash off, then 100percent DC , followed eOH/DC 1 :1 0). This gave 25.3g (96percent) of pale yellow oil.
Reference: [1] Patent: WO2012/4549, 2012, A1, . Location in patent: Page/Page column 53
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