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Chemical Structure| 133123-63-4 Chemical Structure| 133123-63-4

Structure of 133123-63-4

Chemical Structure| 133123-63-4

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Product Details of [ 133123-63-4 ]

CAS No. :133123-63-4
Formula : C7H8N4O
M.W : 164.16
SMILES Code : N#CC(N)=C(N=COCC)C#N
MDL No. :MFCD00215307

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Application In Synthesis of [ 133123-63-4 ]

* 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 [ 133123-63-4 ]

[ 133123-63-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 56622-54-9 ]
  • [ 133123-63-4 ]
  • [ 1434589-16-8 ]
YieldReaction ConditionsOperation in experiment
1.20 g S-1 (synthesis described in J. Med. Chem. 1996, 39, 13, 2586-2593) (1 .14 g;9.33 mmol) was added drop wise to a solution of R-1 (synthesis described inWO2006/1 17670 ) (1 .46 g; 8.89 mmol) and aniline,HCI (18 mg; 0.14 mmol) in EtOH (30 mL) at 10C. The reaction mixture was stirred at RT for 20 h. An aqueous solution of NaOH 3M (30 mL) was added dropwise to the solution at 10C and the resultant mixture was stirred at RT for 1 h. The aqueous layer was extracted with DCM (3 times). The combined organic layers were washed with a saturated aqueous solution of NaHC03, dried over MgS04, filtered and concentrated in vacuo to give 1.20 g of T-1 as a brown solid (63% yield). T-1 was used in the next step without further purification. HPLC Rt (min) = 4.45 ; MS M+ (H+): 214 (method V1010V1012)
 

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