Trifluoroacetic acid → HCID 11224700, compound

HRID 1831938Notes

Reaction equation

[Br:1][C:2]1[C:3](=[O:28])[N:4]([CH2:18][C:19]2[CH:20]=[C:21]([CH2:25][C:26]#[N:27])[CH:22]=[CH:23][CH:24]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([F:16])=[CH:12][C:11]=1[F:17].C(O)(C(F)(F)F)=O>>[NH2:27][CH2:26][CH2:25][C:21]1[CH:20]=[C:19]([CH:24]=[CH:23][CH:22]=1)[CH2:18][N:4]1[CH:5]=[CH:6][C:7]([O:8][CH2:9][C:10]2[CH:15]=[CH:14][C:13]([F:16])=[CH:12][C:11]=2[F:17])=[C:2]([Br:1])[C:3]1=[O:28]

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 11351283HCID 11351283, compound

Product 1

HCID 11224700HCID 11224700, compound

Procedure

The title compound was prepared from compound of Example 97 by a procedure similar to the one described for Example 99, as the TFA salt (0.13 g, 33%): mp 70-74° C.; 1H NMR (300 MHz, DMSO-d6) δ 8.21 (br s, 1H), 6.60-6.50 (m, 1H), 7.52 (d, J=6 Hz, 1H), 7.30-7.10 (m, 3H), 7.01 (d, J=9 Hz, 1H), 6.94-6.85 (m, 2H), 6.20 (d, J=6 Hz, 1H), 5.20 (s, 2H), 5.05 (s, 2H), 3.23 (br s, 2H), 2.97 (t, J=8 Hz, 2H), 2.05 (br s, 2H). ES HRMS m/z 449.0698 (M+H C21H20BrF2N2O2 requires 449.0671).

Sources & evidence

ORD record: ord-5c0b5951ab594b438704e135f6d0e28c
Source dataset: uspto-grants-2006_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07067540B2

Reaction notes

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