Acetonitrile → HCID 68178654, compound

HRID 537567Notes

Reaction equation

HRID 537567 reaction equation
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[CH:8]=[N:9][N:10]([C:12]2[N:17]=[CH:16][C:15]([NH:18][CH:19]([C:23]3[CH:33]=[CH:32][C:26]([C:27](OCC)=[O:28])=[CH:25][CH:24]=3)[CH2:20][CH2:21][CH3:22])=[CH:14][CH:13]=2)[CH:11]=1.[C:34]([OH:40])([C:36](F)(F)F)=[O:35].C[C:42]#[N:43]>>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[CH:8]=[N:9][N:10]([C:12]2[N:17]=[CH:16][C:15]([NH:18][CH:19]([C:23]3[CH:24]=[CH:25][C:26]([C:27]([NH:43][CH2:42][CH2:36][C:34]([OH:40])=[O:35])=[O:28])=[CH:32][CH:33]=3)[CH2:20][CH2:21][CH3:22])=[CH:14][CH:13]=2)[CH:11]=1

Participants

4

Reactant 3

HCID 6342Acetonitrile3×HCID 6422Trifluoroacetic acidHCID 68156601HCID 68156601, compound

Product 1

HCID 68178654HCID 68178654, compound

Procedure

The title compound was prepared by a method analogous to that described for Example 163, Steps B-D, using (+/−)-ethyl 4-(1-(6-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)pyridin-3-ylamino)butyl)benzoate. Column: Waters Atlantis dC18 4.6×50 mm, 5 μm. Modifier TFA 0.05%. Gradient 95% H20/5% MeCN linear to 5% H20/95% MeCN over 4.0 min, Hold at 5% H20/95% MeCN to 5.0 min. Flow: 2.0 mL/min. Retention time: 2.20 min. MS (M+1): 485.0.

Workup

  1. customto 5.0 min

Sources & evidence

ORD record
ord-4ebab3282efa4ac9a6e84795f4b73975
Source dataset
uspto-grants-2014_10
Patent number
US08859591B2

Reaction notes

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