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Chemical Structure| 161468-56-0 Chemical Structure| 161468-56-0

Structure of 161468-56-0

Chemical Structure| 161468-56-0

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Product Details of [ 161468-56-0 ]

CAS No. :161468-56-0
Formula : C12H13BrN2O3
M.W : 313.15
SMILES Code : O=C(N(C1=CC=C(Br)C=C1N2)C2=O)OC(C)(C)C
MDL No. :MFCD22384613

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Application In Synthesis of [ 161468-56-0 ]

* 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.

  • Upstream synthesis route of [ 161468-56-0 ]

[ 161468-56-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 77-78-1 ]
  • [ 161468-56-0 ]
  • [ 305790-48-1 ]
YieldReaction ConditionsOperation in experiment
100% at 20℃; for 18 h; [00338] 6-Bromo-l-methyl-lH-benzo[d]imidazol-2(3H)-one: tert-Butyl 5- bromo-2-oxo-2,3-dihydrobenzo[d]imidazole-l-carboxylate (12 g, 38 mmol) (Puwen Zhang, et. al., Bioorganic Medicinal Chemistry Letters 1 1 (2001) 2747-2750 hereby incoporated by reference) and anhydrous disodium carbonate (3.2 niL, 77 mmol) were mixed in 200 mL THF. To this mixture was added dimethyl sulfate (15 mL, 153 mmol). The mixture was stirred at room temperature for 18 hours. The solvent was evaporated. The residue was dissolved in EtOAc and washed with brine and dried over sodium <n="159"/>sulfate. The solvent was evaporated. The residue was taken up in MeOH (50 mL) and allowed to stand 18 hours. The solvent was evaporated, and the residue was triturated from MeOH (25 mL) to provide the product as a white solid (8.7 g, 100 percent). LCMS (API- ES) m/z: 227, 229 (M+H*).
References: [1] Patent: WO2009/11880, 2009, A2, . Location in patent: Page/Page column 157-158.
  • 2
  • [ 161468-56-0 ]
  • [ 305790-48-1 ]
References: [1] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 20, p. 2747 - 2750.
 

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