Trifluoroacetic acid → HCID 178462063, compound

HRID 2053832Notes

Reaction equation

HRID 2053832 reaction equation
[Cl:1][C:2]1[CH:39]=[CH:38][C:5]2[NH:6][C:7]([C@@H:9]([NH:11][C:12](=[O:37])[C:13]3[CH:18]=[CH:17][C:16]([C:19]([N:21]4[CH2:25][CH2:24][CH2:23][C@H:22]4[CH2:26][CH2:27][NH:28]C(OC(C)(C)C)=O)=[O:20])=[C:15]([Cl:36])[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:39]=[CH:38][C:5]2[NH:6][C:7]([C@@H:9]([NH:11][C:12](=[O:37])[C:13]3[CH:18]=[CH:17][C:16]([C:19]([N:21]4[CH2:25][CH2:24][CH2:23][C@H:22]4[CH2:26][CH2:27][NH2:28])=[O:20])=[C:15]([Cl:36])[CH:14]=3)[CH3:10])=[N:8][C:4]=2[CH:3]=1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 24526ChlorineHCID 21584172Ammonia methanol dichloromethaneHCID 178462065HCID 178462065, compound

Product 1

HCID 178462063HCID 178462063, compound

Procedure

Prepared analogously to Example 17 from N-[(1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethyl]-3-chloro-4-{(2S)-2-[2-(N-tert-butoxycarbonylamino)ethyl]pyrrolidin-1-ylcarbonyl}benzamide and trifluoroacetic acid. Yield: quantitative; Rf value: 0.10 (silica gel; dichloromethane/methanol/ammonia=9:1:0.1); C23H25Cl2N5O2 (474.39); mass spectrum: (M+H)+=474/476/478 (chlorine isotope).

Sources & evidence

ORD record
ord-515409e801f8442386cfe4a3620aa3e5
Source dataset
uspto-grants-2008_02
Patent number
US07326791B2

Reaction notes

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