Benzyl Isothiocyanate → HCID 86667796, compound

HRID 527890Notes

Reaction equation

HRID 527890 reaction equation
FC(F)(F)CCC([N:7]1[CH2:14][CH2:13][N:12]([C:15]2[C:16]3[CH:23]=[CH:22][NH:21][C:17]=3[N:18]=[CH:19][N:20]=2)[CH2:11][C:8]21[CH2:10][CH2:9]2)=O.[CH2:26]([N:33]=[C:34]=[S:35])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>C1COCC1>[CH2:26]([NH:33][C:34]([N:7]1[CH:8]2[CH2:9][CH2:10][CH:14]1[CH2:13][N:12]([C:15]1[C:16]3[CH:23]=[CH:22][NH:21][C:17]=3[N:18]=[CH:19][N:20]=1)[CH2:11]2)=[S:35])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1

Participants

4

Reactant 2

HCID 2346Benzyl IsothiocyanateHCID 57477268HCID 57477268, compound2×

Product 1

HCID 86667796HCID 86667796, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

4-(3,8-Diaza-bicyclo[3.2.1]oct-3-yl)-7H-pyrrolo[2,3-d]pyrimidine (intermediate 4) (0.05 mmol) was dissolved in THF (1 mL), and benzyl isothiocyanate (0.06 mmol) was added. The reaction mixture was left at rt for 16 hours. The pure compounds were obtained by standard preparative HPLC purification of the reaction mixture.

Workup

  1. customThe pure compounds were obtained by standard preparative HPLC purification of the reaction mixture

Sources & evidence

ORD record
ord-e64cc6563f5544dbb1ceab750334d3a8
Source dataset
uspto-grants-2016_05
Patent number
US09346809B2

Reaction notes

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