2,4-Dimethylphenol → HCID 69419232, compound

HRID 1293246Notes

Reaction equation

HRID 1293246 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.[CH3:24][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[CH3:24])=[N:3][CH:4]=1

Participants

3

Reactant 2

HCID 77712,4-DimethylphenolHCID 86601543Methyl 4-((1S)-1-{[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate

Product 1

HCID 69419232HCID 69419232, 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 2,4-dimethylphenol: 1H-NMR (CDCl3) δ 8.56 (1H, d, J=2.8 Hz), 8.32 (1H, d, J=7.5 Hz), 8.11 (1H, d, J=2.6 Hz), 8.02–7.98 (2H, m), 7.43 (2H, d, J=8.3 Hz), 7.26–7.09 (2H, m), 6.99 (1H, d, J=8.1 Hz), 5.45–5.36 (1H, m), 3.90 (3H, s), 2.36 (3H, s), 2.10 (3H, s), 1.59 (3H, d, J=7.0 Hz); MS (ESI) m/z 439 (M+H)+, 437 (M−H)−.

Sources & evidence

ORD record
ord-d10b4af6678446699f9c6a34427210d5
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

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