Trifluoroacetic acid → HCID 178509975, compound

HRID 2053826Notes

Reaction equation

HRID 2053826 reaction equation
C(OC([NH:8][CH2:9][CH:10]1[CH2:14][CH2:13][CH2:12][N:11]1[C:15]([C:17]1[CH:42]=[CH:41][C:20]([C:21]([NH:23][CH:24]([C:31]2[NH:35][C:34]3[CH:36]=[CH:37][C:38]([Cl:40])=[CH:39][C:33]=3[N:32]=2)[CH2:25][C:26]2[N:27]=[CH:28][NH:29][CH:30]=2)=[O:22])=[CH:19][C:18]=1[Cl:43])=[O:16])=O)(C)(C)C.FC(F)(F)C(O)=O.ClCl>ClCCl.CO>[NH2:8][CH2:9][CH:10]1[CH2:14][CH2:13][CH2:12][N:11]1[C:15]([C:17]1[CH:42]=[CH:41][C:20]([C:21]([NH:23][CH:24]([C:31]2[NH:35][C:34]3[CH:36]=[CH:37][C:38]([Cl:40])=[CH:39][C:33]=3[N:32]=2)[CH2:25][C:26]2[N:27]=[CH:28][NH:29][CH:30]=2)=[O:22])=[CH:19][C:18]=1[Cl:43])=[O:16]

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 24526ChlorineHCID 178453068HCID 178453068, compound

Product 1

HCID 178509975HCID 178509975, compoundYield 98%

Reagents, catalysts & solvents 1

HCID 21226129Dichloromethane methanolSolvent

Procedure

Prepared analogously to Example 17 from 4-[2-(N-tert-butoxycarbonylaminomethyl)pyrrolidin-1-ylcarbonyl]-3-chloro-N-[1-(5-chloro-1H-benzimidazol-2-yl)-2-(1H-imidazol-4-yl)ethyl]benzamide and trifluoroacetic acid. Yield: 98% of theory; Rf value: 0.47 (silica gel; dichloromethane/methanol=7:3); C25H25C12N7O2 (526.43); mass spectrum: (M+H)+=526/528/530 (chlorine isotope).

Sources & evidence

ORD record
ord-36bb32107da14aefa2541b4b393efba3
Source dataset
uspto-grants-2008_02
Patent number
US07326791B2

Reaction notes

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