Trifluoroacetic acid → HCID 178462098, compound

HRID 2053955Notes

Reaction equation

HRID 2053955 reaction equation
C(OC([NH:8][CH2:9][C:10]1[C:14]2[CH2:15][CH2:16][CH2:17][C:13]=2[N:12]([C:18]2[CH:38]=[CH:37][C:21]([C:22]([NH:24][C@H:25]([C:27]3[NH:31][C:30]4[CH:32]=[CH:33][C:34]([Cl:36])=[CH:35][C:29]=4[N:28]=3)[CH3:26])=[O:23])=[CH:20][C:19]=2[C:39]([F:42])([F:41])[F:40])[N:11]=1)=O)(C)(C)C.FC(F)(F)C(O)=O.ClCl>ClCCl.CO>[NH2:8][CH2:9][C:10]1[C:14]2[CH2:15][CH2:16][CH2:17][C:13]=2[N:12]([C:18]2[CH:38]=[CH:37][C:21]([C:22]([NH:24][C@H:25]([C:27]3[NH:31][C:30]4[CH:32]=[CH:33][C:34]([Cl:36])=[CH:35][C:29]=4[N:28]=3)[CH3:26])=[O:23])=[CH:20][C:19]=2[C:39]([F:42])([F:41])[F:40])[N:11]=1

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 24526ChlorineHCID 178462099HCID 178462099, compound

Product 1

HCID 178462098HCID 178462098, compoundYield 55%

Reagents, catalysts & solvents 1

HCID 21226129Dichloromethane methanolSolvent

Procedure

Prepared analogously to Example 17 from 4-[3-(tert-butoxycarbonylamino)methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl]-N-[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]-3-trifluoromethylbenzamide and trifluoroacetic acid. Yield: 55%; Rf value: 0.25 (silica gel; dichloromethane/methanol=9:1); C24H22ClF3N6O (502.93); mass spectrum: (M−H)−=503/505 (chlorine isotope).

Sources & evidence

ORD record
ord-ed9d6a9a161b4bffb2059ad56733c6d2
Source dataset
uspto-grants-2008_02
Patent number
US07326791B2

Reaction notes

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