Trifluoroacetic acid → HCID 178462060, compound

HRID 2053829Notes

Reaction equation

HRID 2053829 reaction equation
[Cl:1][C:2]1[CH:38]=[CH:37][C:5]2[NH:6][C:7]([C@@H:9]([NH:11][C:12](=[O:36])[C:13]3[CH:18]=[CH:17][C:16]([C:19]([N:21]4[CH2:25][CH2:24][CH2:23][CH:22]4[CH2:26][NH:27]C(OC(C)(C)C)=O)=[O:20])=[C:15]([Cl:35])[CH:14]=3)[CH3:10])=[N:8][C:4]=2[CH:3]=1.FC(F)(F)C(O)=O.ClCCl.CO.N.ClCl>>[Cl:1][C:2]1[CH:38]=[CH:37][C:5]2[NH:6][C:7]([C@@H:9]([NH:11][C:12](=[O:36])[C:13]3[CH:18]=[CH:17][C:16]([C:19]([N:21]4[CH2:25][CH2:24][CH2:23][CH:22]4[CH2:26][NH2:27])=[O:20])=[C:15]([Cl:35])[CH:14]=3)[CH3:10])=[N:8][C:4]=2[CH:3]=1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 24526ChlorineHCID 21584172Ammonia methanol dichloromethaneHCID 178462061HCID 178462061, compound

Product 1

HCID 178462060HCID 178462060, compound

Procedure

Prepared analogously to Example 17 from N-[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]-3chloro-4-[(2R/S)-2-(N-tert-butoxycarbonylaminomethyl)pyrrolidin-1-ylcarbonyl]benzamide and trifluoroacetic acid. Yield: quantitative; Rf value: 0.15 (silica gel; dichloromethane/methanol/ammonia=9:1:0.1); C22H23Cl2N5O2 (460.36); mass spectrum: (M+H)+=460/462/464 (chlorine isotope).

Sources & evidence

ORD record
ord-be727d8b1dff4d5fa100cf170cd7f049
Source dataset
uspto-grants-2008_02
Patent number
US07326791B2

Reaction notes

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