HCID 63893933, compound → HCID 86700412, compound

HRID 879597Notes

Reaction equation

HRID 879597 reaction equation
[C:1]([O:5][C@@H:6]([C:10]1[C:34]([CH3:35])=[CH:33][C:13]2[N:14]=[C:15]([C:17]3[CH:18]=[C:19]4[C:23](=[CH:24][CH:25]=3)[N:22]([CH3:26])[N:21]=[C:20]4[C:27]3[CH:28]=NC=C[CH:32]=3)[S:16][C:12]=2[C:11]=1[C:36]1[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][CH:37]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].BrC1C=CC(F)=C(C(O)C(C)C)C=1>>[C:1]([O:5][C@@H:6]([C:10]1[C:34]([CH3:35])=[CH:33][C:13]2[N:14]=[C:15]([C:17]3[CH:18]=[C:19]4[C:23](=[CH:24][CH:25]=3)[N:22]([CH3:26])[N:21]=[C:20]4[CH:27]([CH3:28])[CH3:32])[S:16][C:12]=2[C:11]=1[C:36]1[CH:37]=[CH:38][C:39]([Cl:42])=[CH:40][CH:41]=1)[C:7]([OH:9])=[O:8])([CH3:3])([CH3:4])[CH3:2]

Participants

3

Reactant 2

HCID 63893933HCID 63893933, compoundHCID 86700220HCID 86700220, compound

Product 1

HCID 86700412HCID 86700412, compound

Procedure

(S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(3-isopropyl-1-methyl-1H-indazol-5-yl)-5-methylbenzo[d]thiazol-6-yl)acetic acid was prepared in a similar manner as (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(pyridin-3-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid except 1-(5-bromo-2-fluorophenyl)-2-methylpropan-1-ol was used instead of (5-bromo-2-fluorophenyl)(pyridin-3-yl)methanol. LCMS-ESI+: calc'd for C31H33ClN3O3S: 562.2 (M+H+); Found 562.3 (M+H+). 1H NMR (400 MHz, CD3OD) δ 8.44 (s, 1H), 8.03 (dd, J=8.9, 1.6 Hz, 1H), 7.81 (s, 1H), 7.70 (d, J=8.3 Hz, 1H), 7.58 (dd, J=9.4, 6.9 Hz, 4H), 5.26 (s, 1H), 4.01 (s, 3H), 3.45 (hept, J=7.0 Hz, 1H), 2.61 (s, 3H), 1.46 (d, J=7.0 Hz, 6H), 0.98 (s, 9H).

Sources & evidence

ORD record
ord-3775dcdedc424bf6ab52075d12db3fd0
Source dataset
uspto-grants-2015_03
Patent number
US08987250B2

Reaction notes

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