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Chemical Structure| 1363381-55-8 Chemical Structure| 1363381-55-8

Structure of 1363381-55-8

Chemical Structure| 1363381-55-8

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Product Details of [ 1363381-55-8 ]

CAS No. :1363381-55-8
Formula : C11H17NO4
M.W : 227.26
SMILES Code : O=C(C12CN(C(OC(C)(C)C)=O)CC1C2)O
MDL No. :MFCD22566159
InChI Key :OUTDFRNFTVGFRQ-UHFFFAOYSA-N
Pubchem ID :71246142

Safety of [ 1363381-55-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 1363381-55-8 ]

* 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.

  • Downstream synthetic route of [ 1363381-55-8 ]

[ 1363381-55-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1363381-55-8 ]
  • [ 421-52-3 ]
  • [ 1421938-81-9 ]
YieldReaction ConditionsOperation in experiment
49% Example 14c (racemic mixture)Oxalyl chloride (410 mu, 4.84 mmol) and a drop of DMF are added to racemic 3- azabicyclo[3.1.0]hexane-l,3-dicarboxylic acid-3-tert-butyl ester (1000 mg, 4.40 mmol) in DCM (12 mL) cooled to 0C. After stirring at that temperature for 2h, ACN (12 mL) followed by trimethylsilyldiazomethane in hexanes (2M, 4.4 mL, 8.80 mmol) are added dropwise. The reaction mixture is stirred at 0C for 2h and then at room temperature overnight. The reaction mixture is then cooled to 0C, hydrobromic acid (48%, 989 mu, 8.80 mmol) is added dropwise and stirring is continued at rt for 10 min. Solid NaHC03 is added until basic pH and stirring is continued for 5 min. The reaction mixture is diluted with EtOAc, washed with water and saturated NaHC03, brine, dried over Na2SC"4 and evaporated under reduced pressure to obtain a residue, 980 mg. 200 mg of such residue are mixed with <strong>[421-52-3]2,2,2-trifluoroethanethioamide</strong> (170 mg, 1.31 mmol) in EtOH (1 mL) and heated at 70C overnight. Volatiles are evaporated under reduced pressure and the resulting residue purified by flash chromatography (eluent 10% EtOAc/cyclohexane) to furnish the title compound (146 mg, 49%>).HPLC-MS (Method 2): Rt =1.48 minMS (ESI pos): m/z = 279 (M-tBu+H)+
 

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