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Chemical Structure| 847862-26-4 Chemical Structure| 847862-26-4

Structure of 847862-26-4

Chemical Structure| 847862-26-4

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Product Details of [ 847862-26-4 ]

CAS No. :847862-26-4
Formula : C12H22N2O2
M.W : 226.32
SMILES Code : O=C(OC(C)(C)C)N[C@@H]1[C@@H]2CC[C@H]1CNC2
MDL No. :MFCD18583409
InChI Key :HHYUNZXSGVNMOY-ULKQDVFKSA-N
Pubchem ID :72212383

Safety of [ 847862-26-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H318-H335
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 847862-26-4 ]

* 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.

  • Downstream synthetic route of [ 847862-26-4 ]

[ 847862-26-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 847862-26-4 ]
  • [ 161489-05-0 ]
  • tert-butyl N-[(1R,5S,8s)-3-(6-methoxypyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
85.3% With potassium carbonate; In N,N-dimethyl-formamide; at 100.0℃;Inert atmosphere; To a light yellow solution of tert-butyl N-[(8 endo)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (250 mg, 1.1 mmol), (CAS Registry Number: 1330763-51-3), in DMF (5 ml) was added K2C03 (458 mg, 3.31 mmol) followed by 4-iodo-6-methoxypyrimidine (391 mg, 1.66 mmol). The vial was closed under argon and the reaction mixture was stirred at 100 C over night. LC-MS showed the reaction was complete. The reaction mixture was diluted with 20 mL H20 and extracted with DCM (3 x 25 mL). The organic layers were dried over MgS04 and concentrated in vacuo. The crude material was purified by flash chromatography (silica gel, 25 g, 0 % to 60 % EtOAc in heptane) to afford the title compound (315 mg, 85.3 % yield) as a white powder. MS ES+ (m/z): 335..2 [(M+H)+]
85% With potassium carbonate; In N,N-dimethyl-formamide; at 100.0℃;Sealed tube; In analogy to the preparation of intermediate Int-54 from tert-butyl N-[(lR,5S,8s)-3- azabicyclo[3.2.1]octan-8-yl]carbamate (lnt-47, 250 mg, 1.1 mmol) and 4-iodo-6- methoxypyrimidine (lnt-56, 391 mg, 1.66 mmol) in a sealed tube at 100 C using DMF as solvent in the presence of K2C03 (458 mg, 3.31 mmol), the title compound (315 mg, 85 % yield) was obtained as a white solid. MS (ES+) m/z: 335.2 [M+H].
85% With potassium carbonate; In N,N-dimethyl-formamide; at 100.0℃;Sealed tube; In analogy to the preparation of the intermediate 10-1 (step 1) from tert-butyl N-[(1R,5S,8S)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (250 mg, 1.1 mmol) and 4-iodo-6-methoxypyrimidine (391 mg, 1.66 mmol) in a sealed tube at 100 C using DMF as solvent in the presence of K2CO3 (458 mg, 3.31 mmol), tert-butyl N-[(1R,5S,8S)-3-(6-methoxypyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (315 mg, 85 % yield) was obtained as a white solid. MS (ES+) m/z 335.2 [(M+H)+].
  • 2
  • [ 847862-26-4 ]
  • [ 161489-05-0 ]
  • (1R,5S,8s)-3-(6-methoxypyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-amine [ No CAS ]
 

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