Trifluoroacetic acid → HCID 178448335, compound

HRID 2053835Notes

Reaction equation

HRID 2053835 reaction equation
[Cl:1][C:2]1[CH:40]=[CH:39][C:5]2[NH:6][C:7]([C@@H:9]([NH:13][C:14](=[O:38])[C:15]3[CH:20]=[CH:19][C:18]([C:21]([N:23]4[CH2:27][CH2:26][CH2:25][C@H:24]4[CH2:28][NH:29]C(OC(C)(C)C)=O)=[O:22])=[C:17]([Cl:37])[CH:16]=3)[CH2:10][CH2:11][CH3:12])=[N:8][C:4]=2[CH:3]=1.FC(F)(F)C(O)=O.ClCCl.CO.N.ClCl>>[Cl:1][C:2]1[CH:40]=[CH:39][C:5]2[NH:6][C:7]([C@@H:9]([NH:13][C:14](=[O:38])[C:15]3[CH:20]=[CH:19][C:18]([C:21]([N:23]4[CH2:27][CH2:26][CH2:25][C@H:24]4[CH2:28][NH2:29])=[O:22])=[C:17]([Cl:37])[CH:16]=3)[CH2:10][CH2:11][CH3:12])=[N:8][C:4]=2[CH:3]=1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 24526ChlorineHCID 21584172Ammonia methanol dichloromethaneHCID 178448336HCID 178448336, compound

Product 1

HCID 178448335HCID 178448335, compound

Procedure

Prepared analogously to Example 17 from N-[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)butyl]-3-chloro-4-[(2S)-2-(N-tert-butoxycarbonylaminomethyl)pyrrolidin-1-ylcarbonyl]benzamide and trifluoroacetic acid. Yield: quantitative; Rf value: 0.06 (silica gel; dichloromethane/methanol/ammonia=9:1:0.1); C24H27Cl2N5O2 (488.42); mass spectrum: (M+H)+=488/490/492 (chlorine isotope).

Sources & evidence

ORD record
ord-7cfe63efb41d4241a07b278d7b860604
Source dataset
uspto-grants-2008_02
Patent number
US07326791B2

Reaction notes

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