Hydrochloric Acid → HCID 60054561, compound

HRID 489688Notes

Reaction equation

HRID 489688 reaction equation
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C@@H:9]([NH:31][C:32]([C@@H:34]2[CH2:43][C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[CH2:36][N:35]2C(OC(C)(C)C)=O)=[O:33])[C:10]([N:12]2[CH2:17][CH2:16][CH:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[N:24]3[CH:28]=[CH:27][N:26]([CH3:29])[C:25]3=[O:30])[CH2:14][CH2:13]2)=[O:11])=[CH:4][CH:3]=1.Cl>CCOC(C)=O>[CH2:36]1[C:37]2[C:42](=[CH:41][CH:40]=[CH:39][CH:38]=2)[CH2:43][C@@H:34]([C:32]([NH:31][C@H:9]([CH2:8][C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[C:10]([N:12]2[CH2:17][CH2:16][CH:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[N:24]3[CH:28]=[CH:27][N:26]([CH3:29])[C:25]3=[O:30])[CH2:14][CH2:13]2)=[O:11])=[O:33])[NH:35]1

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 131725243HCID 131725243, compound

Product 1

HCID 60054561HCID 60054561, compoundYield 59%

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent

Procedure

The title compound was prepared according to the procedure described in Example 10 (Step c) from tert-butyl (3S)-3-[N-((1R)-1-[(4-chlorophenyl)methyl]-2-(4-[2-(3-methyl-2-oxo(4-imidazolinyl))phenyl]piperidyl)-2-oxoethyl)carbamoyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxylate (Step c) (0.12 g, 0.17 mmol) and satd anhydrous HCl in EtOAc (50 mL). Recrystallization from 1:10 CH2Cl2:Kt2O provided the title compound (HCl salt) as a white solid (0.06 g). MP 178° C. (decomposed). MS (ESI, pos. ion) m/z: 598 (M+1). Calc'd for C34H36ClN5O3: 597.25. Anal. Calcd for C34H35ClN5O3.HCl.1.25H2O—C, 62.15; H, 6.06; N, 10.66; Cl, 10.79. Found: C, 62.20; H, 6.02; N, 10.68; Cl, 10.65.

Workup

  1. customThe title compound was prepared
  2. customRecrystallization from 1:10 CH2Cl2

Sources & evidence

ORD record
ord-e03a227b4e8f4f65b81daeb98856c147
Source dataset
uspto-grants-2005_12
Patent number
US06977264B2

Reaction notes

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