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Chemical Structure| 56471-90-0 Chemical Structure| 56471-90-0

Structure of 56471-90-0

Chemical Structure| 56471-90-0

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Product Details of [ 56471-90-0 ]

CAS No. :56471-90-0
Formula : C9H14N2
M.W : 150.22
SMILES Code : NC1=CC=C(C(C)C)C=C1N
MDL No. :MFCD00628988

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Application In Synthesis of [ 56471-90-0 ]

* 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 [ 56471-90-0 ]

[ 56471-90-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2592-18-9 ]
  • [ 56471-90-0 ]
  • C18H29N3O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 60℃; for 16h; General procedure: The title compounds were prepared in parallel format using thefollowing protocol: Step 1: To 4-alkyl-1, 2-diaminobenzene (100 mumol,1 eq) was added a solution of the required amino acid in DMF (0.2 M,500 muL, 100 mumol, 1 eq) followed by TEA (28 muL, 200 mumol, 2 eq) and asolution of HATU in DMF (0.2 M, 500 muL, 100 mumol, 1 eq). The reactionwas shaken at 60 °C for 16 h before cooling and concentrating in vacuoto afford crude uncyclised intermediate. Step 2: To crude uncyclizedintermediate was added acetic acid (1000 muL) and the reaction wasshaken at 80 °C for 1 h. The reaction was cooled, concentrated in vacuoand dissolved in DMSO. The solution was filtered and purified usingpreparative HPLC to afford the intermediate benzimidazole. Step 3: Tothe intermediate benzimidazole was added CH2Cl2 (1800 mumol) followedby 4M HCI in dioxane (200 muL) and the reaction was shaken at30 °C for 1.5 h. The reaction was concentrated in vacuo to afford productas the HCl salt.
 

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