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[ CAS No. 683218-80-6 ]

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2D
Chemical Structure| 683218-80-6
Chemical Structure| 683218-80-6
Structure of 683218-80-6 *Storage: {[proInfo.prStorage]}

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Product Details of [ 683218-80-6 ]

CAS No. :683218-80-6MDL No. :MFCD01861819
Formula : C11H19NO4 Boiling Point : 381.6±25.0°C at N/A mmHg
Linear Structure Formula :-InChI Key :-
M.W :229.27Pubchem ID :22309337
Synonyms :

Computed Properties of [ 683218-80-6 ]

TPSA : 75.6 H-Bond Acceptor Count : 4
XLogP3 : 1.2 H-Bond Donor Count : 2
SP3 : 0.82 Rotatable Bond Count : 6

Safety of [ 683218-80-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 683218-80-6 ]

  • Upstream synthesis route of [ 683218-80-6 ]
  • Downstream synthetic route of [ 683218-80-6 ]

[ 683218-80-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 24424-99-5 ]
  • [ 683218-80-6 ]
YieldReaction ConditionsOperation in experiment
91.3% With sodium hydroxide In tetrahydrofuran; water at 20 - 30℃; for 17 h; To a mixture of 3-amino-3-cyclopropylpropanoic acid (146 g, 1.13 mol), water (300 mL), and tetrahydrofuran (1 L) was added an aqueous solution of sodium hydroxide (95 g, 2.37 mol; 200 mL of water) while maintaining the internal temperature below 30 °C. A solution of di-t-butyl dicarbonate (271.7 g, 1.24 mol) in tetrahydrofuran (250 mL) was added to the reaction via addition funnel while maintaining the internal temperature below 30 °C with the aid of a water bath. The reaction was stirred at ambient temperature for a period of 17 h, at which point LCMS analysis indicated that the starting material had been consumed. The reaction mixture was quenched by portionwise addition of oxalic acid to a pH of 4 and the precipitated salts removed by filtration. The salts were rinsed with ethyl acetate (slurry-wash: 1 x 500 mL; displacement wash: 1 x 500 mL) and the phases were split. The aqueous layer was extracted with ethyl acetate (2 x 250 mL), the combined organic layers washed with brine (1 x 400 mL), dried over sodium sulfate, filtered and the majority of the solvent removed to provide a thick slurry. The product slurry was diluted with hexanes (500 mL) and cooled to 0 °C prior to filtration. The cake was washed with cold hexanes (displacement wash: 1 x 300 mL) and dried under vacuum to afford the desired compound (236.3 g, 91.3percent yield) as a white solid. mp: 104-106 °C.
Reference: [1] Patent: WO2005/103003, 2005, A2, . Location in patent: Page/Page column 108
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