Hydrochloric Acid → HCID 178479184, compound

HRID 1987066Notes

Reaction equation

HRID 1987066 reaction equation
[C:1]([NH:4][O:5][CH2:6][CH2:7][NH:8][C:9](=[O:33])[CH2:10][C:11]1[C:16]([C:17]#[N:18])=[CH:15][CH:14]=[C:13]([NH:19][CH2:20][C:21]([F:31])([F:30])[C:22]2[CH:27]=[CH:26][C:25]([F:28])=[C:24]([F:29])[CH:23]=2)[C:12]=1[F:32])(=[NH:3])[NH2:2].[ClH:34]>O>[ClH:34].[C:1]([NH:4][O:5][CH2:6][CH2:7][NH:8][C:9](=[O:33])[CH2:10][C:11]1[C:16]([C:17]#[N:18])=[CH:15][CH:14]=[C:13]([NH:19][CH2:20][C:21]([F:30])([F:31])[C:22]2[CH:27]=[CH:26][C:25]([F:28])=[C:24]([F:29])[CH:23]=2)[C:12]=1[F:32])(=[NH:2])[NH2:3]

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 178510052HCID 178510052, compound

Product 1

HCID 178479184HCID 178479184, compound

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

Prepared from N-[2-(Amidinoaminooxy)ethyl]-2-{3-[(2,2-difluoro-2-(3,4-difluorophenyl)ethyl)amino]-6-cyano-2-fluorophenyl}acetamide, as described in the previous step, using essentially the protocol given in Example 2j. 1H NMR (300 Hz, CD3OD) δ 7.55-7.45 (m, 1H), 7.41-7.26 (m, 3H), 6.80 (t, J=8.6 Hz, 1H), 3.99-3.91 (m, 4H), 3.76 (d, J=1.98 Hz, 2H), 3.52 (t, J=5.3 Hz, 2H); LC/MS (m/z) [M+1]+ 471.2 (calculated for C20H19F5N6O2, 470.15). Elem. Anal. Calc. for free base •1.00 HCl: C, 47.39; H, 3.98; N, 16.58; Cl, 6.99. Found: C, 47.39; H, 3.74; N, 16.57; Cl, 7.01. Karl Fischer % water: <0.10.

Sources & evidence

ORD record
ord-c8c3300a751c49708181fcffc6bdb9e5
Source dataset
uspto-grants-2009_06
Patent number
US07550474B2

Reaction notes

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