Acetonitrile → HCID 68178614, compound

HRID 537532Notes

Reaction equation

HRID 537532 reaction equation
[N:1]1[N:2]([C:10]2[CH:30]=[CH:29][C:13]([O:14][CH:15]([C:19]3[CH:28]=[CH:27][C:22]([C:23](OC)=[O:24])=[CH:21][CH:20]=3)[CH2:16][CH2:17][CH3:18])=[CH:12][CH:11]=2)[CH:3]=[C:4]2[C:9]=1[CH2:8][CH2:7][CH2:6][CH2:5]2.[C:31]([OH:37])([C:33](F)(F)F)=[O:32].[C:38](#[N:40])C>>[N:1]1[N:2]([C:10]2[CH:30]=[CH:29][C:13]([O:14][CH:15]([C:19]3[CH:20]=[CH:21][C:22]([C:23]([NH:40][CH2:38][CH2:33][C:31]([OH:37])=[O:32])=[O:24])=[CH:27][CH:28]=3)[CH2:16][CH2:17][CH3:18])=[CH:12][CH:11]=2)[CH:3]=[C:4]2[C:9]=1[CH2:8][CH2:7][CH2:6][CH2:5]2

Participants

4

Reactant 3

HCID 6342Acetonitrile3×HCID 6422Trifluoroacetic acidHCID 68156300HCID 68156300, compound

Product 1

HCID 68178614HCID 68178614, compound

Procedure

The title compound was prepared by a method analogous to that described for Example 20 using methyl 4-(1-(4-(4,5,6,7-tetrahydro-2H-indazol-2-yl)phenoxy)butyl)benzoate. Column: Waters Atlantis C18 4.6×50 mm, 5 μm; Modifier: TFA 0.05%; Gradient 95% H20/5% acetonitrile linear to 5% H20/95% acetonitrile over 4.0 min, hold at 5% H20/95% acetonitrile to 5.0 min. Flow: 2.0 mL/min.; Retention time: 3.39 minutes. MS (M+1): 462.2.

Workup

  1. customto 5.0 min

Sources & evidence

ORD record
ord-6870044b0479491d972b5a843712badc
Source dataset
uspto-grants-2014_10
Patent number
US08859591B2

Reaction notes

Loading…