2-Chloro-4-methylphenol → HCID 69417518, compound

HRID 1293313Notes

Reaction equation

HRID 1293313 reaction equation
Cl[C:2]1[C:7]([C:8]([NH:10][C@H:11]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][CH:14]=2)[CH3:12])=[O:9])=[CH:6][C:5]([Cl:23])=[CH:4][N:3]=1.[Cl:24][C:25]1[CH:30]=[C:29]([CH3:31])[CH:28]=[CH:27][C:26]=1[OH:32]>>[Cl:23][C:5]1[CH:6]=[C:7]([C:8]([NH:10][C@H:11]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][CH:14]=2)[CH3:12])=[O:9])[C:2]([O:32][C:26]2[CH:27]=[CH:28][C:29]([CH3:31])=[CH:30][C:25]=2[Cl:24])=[N:3][CH:4]=1

Participants

3

Reactant 2

HCID 148512-Chloro-4-methylphenolHCID 86601543Methyl 4-((1S)-1-{[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate

Product 1

HCID 69417518HCID 69417518, compound

Procedure

The title compound was prepared according to the procedure described in step 2 of Example 45 from methyl 4-((1S)-1-{[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate (step 1 of Example 48) and 2-chloro-4-methylphenol: 1H-NMR (CDCl3) δ 8.53 (1H, d, J=2.6 Hz), 8.20 (1H, d, J=7.4 Hz), 8.11 (1H, d, J=2.6 Hz), 8.01 (2H, d, J=8.4 Hz), 7.45 (2H, d, J=8.4 Hz), 7.37–7.31 (1H, m), 7.23–7.17 (2H, m), 5.39 (1H, dq, J=7.4, 6.9 Hz), 3.90 (3H, s), 2.40 (3H, s), 1.60 (3H, d, J=6.9 Hz); MS (ESI) m/z 459 (M+H)+, 457 (M−H)−.

Sources & evidence

ORD record
ord-92f11179cfa74468a1322a78ee2edb55
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

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