HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Sodium Hydroxide → 3-[4-(2-Cyclopropyl-3-methyl-3H-imidazol-4-yl)-1,2,3-triazol-1-yl]-N-[5-(2-hydroxy-1,1-dimethyl-ethyl)-3-methanesulfonylamino-2-methoxy-phenyl]-4-methyl-benzamide

HRID 1350790
Notes
Print preview

Reaction equation

HRID 1350790 reaction equation
[N:1]([C:4]1[CH:5]=[C:6]([CH:31]=[CH:32][C:33]=1[CH3:34])[C:7]([NH:9][C:10]1[CH:11]=[C:12]([C:23]([CH3:30])([CH3:29])[CH2:24][O:25]C(=O)C)[CH:13]=[C:14]([NH:18][S:19]([CH3:22])(=[O:21])=[O:20])[C:15]=1[O:16][CH3:17])=[O:8])=[N+:2]=[N-:3].[OH-].[Na+].[CH:37]1([C:40]2[N:41]([CH3:47])[C:42]([C:45]#[CH:46])=[CH:43][N:44]=2)[CH2:39][CH2:38]1.O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>CCO.O.[NH4+].[Cl-].[O-]S([O-])(=O)=O.[Cu+2]>[CH:37]1([C:40]2[N:41]([CH3:47])[C:42]([C:45]3[N:3]=[N:2][N:1]([C:4]4[CH:5]=[C:6]([CH:31]=[CH:32][C:33]=4[CH3:34])[C:7]([NH:9][C:10]4[CH:11]=[C:12]([C:23]([CH3:30])([CH3:29])[CH2:24][OH:25])[CH:13]=[C:14]([NH:18][S:19]([CH3:22])(=[O:20])=[O:21])[C:15]=4[O:16][CH3:17])=[O:8])[CH:46]=3)=[CH:43][N:44]=2)[CH2:39][CH2:38]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 4

HCID 14798Sodium HydroxideHCID 210972752-Cyclopropyl-5-ethynyl-1-methyl-1H-imidazoleHCID 23667548Sodium AscorbateHCID 58861402Acetic acid 2-[3-(3-azido-4-methyl-benzoylamino)-5-methanesulfonylamino-4-methoxy-phenyl]-2-methyl-propyl ester

Product 1

HCID 21097080
3-[4-(2-Cyclopropyl-3-methyl-3H-imidazol-4-yl)-1,2,3-triazol-1-yl]-N-[5-(2-hydroxy-1,1-dimethyl-ethyl)-3-methanesulfonylamino-2-methoxy-phenyl]-4-methyl-benzamide

Reagents, catalysts & solvents 4

HCID 24462Copper SulfateCatalystHCID 702EthanolSolventHCID 962WaterSolventHCID 25517Ammonium ChlorideSolvent

Procedure

To a stirring suspension of 49 mg (0.10 mmol) of acetic acid 2-[3-(3-azido-4-methyl-benzoylamino)-5-methanesulfonylamino-4-methoxy-phenyl]-2-methyl-propyl ester in 1 mL of EtOH was added 4N NaOH dropwise until the solids dissolved. 2-Cyclopropyl-5-ethynyl-1-methyl-1H-imidazole (125 mg, 0.855 mmol) was added followed by 20 mg (0.1 mmol) of sodium ascorbate in water. The mixture was stirred under N2 and CuSO4 (0.1 M; 0.1 mL, 0.010 mmol) was added. The suspension was stirred overnight, then was was diluted with half-saturated NH4Cl, and extracted with EtOAc. The extract was washed with brine, and the washes were extract once more wtih EtOAc. The extracts were combined, dried with Na2SO4, filtered, and concentrated. Chromatography (0–4% MeOH (0.5% NH4OH) in CH2Cl2) provided the desired product with a slight blue-green color. The product was then redissolved in EtOAc and washed again with NH4Cl with a few drops of NH4OH added. The aqueous layer became blue, and the organic layer was washed once more with NH4Cl/NH4OH, and once with brine. The organic layer was then dried with Na2SO4, filtered, and concentrated to provide Example 133 (83 mg). ESI MS m/z 594 [C29H35N7O5S+H]+.

Workup

  1. dissolutiondissolved
  2. stirringThe suspension was stirred overnight
  3. extractionextracted with EtOAc
  4. washThe extract was washed with brine
  5. extractionthe washes were extract once more wtih EtOAc
  6. dry with materialdried with Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated

Sources & evidence

ORD record
ord-9ebeeff705f94e7eaf8b17f9d75c5d35
Source dataset
uspto-grants-2007_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07214802B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes