HCID 19078857, compound → HCID 56966216, compound

HRID 1408215Notes

Reaction equation

HRID 1408215 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][NH:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][N:16]([CH3:60])[C:17](=[O:59])[C:18]2[CH:58]=[CH:57][CH:56]=[C:20]([C:21]([NH:23][C:24]3[CH:29]=[CH:28][C:27]([N:30]4[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]4)=[CH:26][C:25]=3[C:36]3[CH:41]=[C:40]([C:42](=[O:55])[NH:43][CH2:44][C:45]4[CH:50]=[CH:49][CH:48]=[C:47]([C:51]([F:54])([F:53])[F:52])[CH:46]=4)[CH:39]=[CH:38][N:37]=3)=[O:22])[CH:19]=2)[CH2:10][CH2:9]1)=[O:7].[CH3:61]OC(NC)C>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH3:61])[C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][N:16]([CH3:60])[C:17](=[O:59])[C:18]2[CH:58]=[CH:57][CH:56]=[C:20]([C:21]([NH:23][C:24]3[CH:29]=[CH:28][C:27]([N:30]4[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]4)=[CH:26][C:25]=3[C:36]3[CH:41]=[C:40]([C:42](=[O:55])[NH:43][CH2:44][C:45]4[CH:50]=[CH:49][CH:48]=[C:47]([C:51]([F:52])([F:53])[F:54])[CH:46]=4)[CH:39]=[CH:38][N:37]=3)=[O:22])[CH:19]=2)[CH2:10][CH2:9]1)=[O:7]

Participants

3

Reactant 2

HCID 19078857HCID 19078857, compoundHCID 66588169HCID 66588169, compound

Product 1

HCID 56966216HCID 56966216, compound

Procedure

This compound was prepared according to the procedure described for the synthesis of N1-(2-(4-((2-methoxyethyl)carbamoyl)piperazin-1-yl)ethyl)-N3-(2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)-4-(piperidin-1-yl)phenyl)-N1-methylisophthalamide Example 207 substituting methoxy-N-methylethanamine in place of 2-methoxyethanamine. LC-MS (ES, m/z): 843 [M+H]+ H-NMR (300 MHz, CD3OD, ppm): 8.99 (d, J=5.1 Hz, 1H), 8.77 (d, J=9.0 Hz, 1H), 8.46 (s, 1H), 8.19 (m, 3H), 7.90 (m, 1H), 7.81 (d, J=7.8 Hz, 1H), 7.74˜7.67 (m, 4H), 7.62˜7.53 (m, 2H), 4.72 (s, 2H), 4.00 (s, 2H), 3.90˜3.65 (m, 9H), 3.57 (d, J=5.1 Hz, 1H), 3.47 (d, J=4.8 Hz, 1H), 3.34 (s, 3H), 3.12 (s, 3H), 2.97 (s, 3H), 2.04 (d, J=4.8 Hz, 4H), 1.83 (d, J=4.2 Hz, 2H).

Workup

  1. customThis compound was prepared

Sources & evidence

ORD record
ord-918dd837cf344ca494a34440268017ce
Source dataset
uspto-grants-2014_12
Patent number
US08916569B2

Reaction notes

Loading…