Isocaproic acid → HCID 53238663, compound

HRID 469611Notes

Reaction equation

HRID 469611 reaction equation
[NH2:1][N:2]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][CH:13]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]1=[O:19].[CH3:20][CH:21]([CH3:27])[CH2:22][CH2:23][C:24](O)=[O:25]>>[Cl:18][C:15]1[CH:16]=[CH:17][C:12]([C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3](=[O:19])[N:2]([NH:1][C:24](=[O:25])[CH2:23][CH2:22][CH:21]([CH3:27])[CH3:20])[N:11]=2)=[CH:13][CH:14]=1

Participants

3

Reactant 2

HCID 12587Isocaproic acidHCID 671613672-amino-4-(4-chlorophenyl)phthalazin-1(2H)-one

Product 1

HCID 53238663HCID 53238663, compound

Procedure

The product of Example 86A and 4-methylpentanoic acid were treated using a method similar to that described in Example 57 to give the title compound. 1H NMR (500 MHz, DMSO-d6/Deuterium Oxide) δ ppm 8.40-8.42 (m, 1H), 7.88-8.04 (m, 2H), 7.72-7.75 (m, 1H), 7.59-7.69 (m, 4H), 2.34 (t, J=7.7 Hz, 2H), 1.57-1.68 (m, 1H), 1.49-1.54 (m, 2H), 0.92 (d, J=6.6 Hz, 6H); MS (ESI−) M/Z 368 (M−H)−.

Sources & evidence

ORD record
ord-36c8518277a5414cb736b8d670b285bc
Source dataset
uspto-grants-2014_01
Patent number
US08629143B2

Reaction notes

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