Methyl 2-(3-(4-(3-(2,4-difluorophenyl)ureido)-3-methylphenyl) isoxazole-5-carboxamido)-3-methylbutanoate → HCID 67354519, compound

HRID 75811Notes

Reaction equation

HRID 75811 reaction equation
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10](=[O:35])[NH:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:22]=[C:21]([C:23]([NH:25][CH:26]([CH:31]([CH3:33])[CH3:32])[C:27]([O:29]C)=[O:28])=[O:24])[O:20][N:19]=2)=[CH:14][C:13]=1[CH3:34].FC1C=CC=C(F)C=1NC(=O)NC1C=CC(C2C=C(C(NC(C(C)C)C(O)=O)=O)ON=2)=CC=1C>>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10](=[O:35])[NH:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:22]=[C:21]([C:23]([NH:25][CH:26]([CH:31]([CH3:32])[CH3:33])[C:27]([OH:29])=[O:28])=[O:24])[O:20][N:19]=2)=[CH:14][C:13]=1[CH3:34]

Participants

3

Reactant 2

HCID 67352872Methyl 2-(3-(4-(3-(2,4-difluorophenyl)ureido)-3-methylphenyl) isoxazole-5-carboxamido)-3-methylbutanoateHCID 67353870HCID 67353870, compound

Product 1

HCID 67354519HCID 67354519, compound

Procedure

The title compound was prepared from methyl 2-(3-(4-(3-(2,4-difluorophenyl)ureido)-3-methylphenyl)isoxazole-5-carboxamido)-3-methylbutanoate using the same procedure as described for preparation of the compound of step 9 of Example 98. The compound was obtained as an off-white solid after drying in vacuo. 1H NMR (300 MHz, DMSO-d6) δ: 0.86-0.88 (d, J=6.6 Hz, 6H), 2.12-2.18 (m, 1H), 2.33 (s, 3H), 3.95-3.99 (m, 1H), 7.00-7.05 (m, 1H), 7.25-7.33 (m, 1H), 7.62 (S, 1H), 7.68-7.71 (d, J=8.4 Hz, 1H), 7.76 (s, 1H), 7.99-8.11 (m, 3H), 8.89 (s, 1H), 9.45 (s, 1H); ms (ESI) m/z 473.2 [M+H]+.

Workup

  1. customThe compound was obtained as an off-white solid
  2. customafter drying in vacuo

Sources & evidence

ORD record
ord-6a93556473634ca8b81dabfc48385e10
Source dataset
uspto-grants-2014_09
Patent number
US08835428B2

Reaction notes

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