Hydrochloric Acid → HCID 21310029, compound

HRID 580949Notes

Reaction equation

HRID 580949 reaction equation
C(OC([N:8]1[CH2:13][CH2:12][CH2:11][C@H:10]([N:14](C(OC(C)(C)C)=O)[CH2:15][C:16]2[CH:21]=[C:20]([N:22]3[C:26]([C:27]([F:30])([F:29])[F:28])=[N:25][N:24]=[N:23]3)[CH:19]=[CH:18][C:17]=2[O:31][CH2:32][CH2:33][CH2:34][CH3:35])[C@@H:9]1[C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1)=O)(C)(C)C.[ClH:49].C(O)C>O1CCOCC1>[ClH:49].[ClH:49].[CH2:32]([O:31][C:17]1[CH:18]=[CH:19][C:20]([N:22]2[C:26]([C:27]([F:29])([F:30])[F:28])=[N:25][N:24]=[N:23]2)=[CH:21][C:16]=1[CH2:15][NH:14][C@H:10]1[CH2:11][CH2:12][CH2:13][NH:8][C@H:9]1[C:43]1[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=1)[CH2:33][CH2:34][CH3:35]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 702EthanolHCID 86754175HCID 86754175, compound

Product 1

HCID 21310029HCID 21310029, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

From 3-{tert-butoxycarbonyl-[2-(1-butoxy)-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-amino}-[2S,3S]-2-phenylpiperidine-1-carboxylic acid tert-butyl ester (345 mg, 0.51 mmol) using 4M-hydrogen chloride in dioxan (5 ml) at 40° C. to give the title compound as a white crystals from ethanol (218 mg). Found C, 51.78; H, 5.62; N, 15.13; C24H29F3N6O.2HCl.0.5H2O (556.46), requires C,51.80; H, 5.80; N, 15.10%. Mass spectrum (thermospray +ve) m/e 475 (MH+).

Workup

  1. customat 40° C.

Sources & evidence

ORD record
ord-d0e41de55b374d8a975a253787be3520
Source dataset
uspto-grants-1999_07
Patent number
US05919803

Reaction notes

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