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Hydrochloric Acid → HCID 57971644, compound

HRID 548268
Notes
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Reaction equation

HRID 548268 reaction equation
C1([O:6][C:7](=[O:47])[C@@H:8]([NH:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([CH2:24][NH:25][CH2:26][C:27]3[CH:28]=[CH:29][C:30]4[CH:34]=[C:33]([C:35](=[O:45])[NH:36][O:37][CH:38]([O:40][CH2:41][CH:42]([CH3:44])[CH3:43])[CH3:39])[S:32][C:31]=4[CH:46]=3)=[CH:20][CH:19]=2)[CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)CCCC1.[Li+].[OH-].Cl>C1COCC1.O>[CH2:41]([O:40][CH:38]([O:37][NH:36][C:35]([C:33]1[S:32][C:31]2[CH:46]=[C:27]([CH2:26][NH:25][CH2:24][C:21]3[CH:20]=[CH:19][C:18]([CH2:17][NH:16][C@@H:8]([CH2:9][C:10]4[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=4)[C:7]([OH:47])=[O:6])=[CH:23][CH:22]=3)[CH:28]=[CH:29][C:30]=2[CH:34]=1)=[O:45])[CH3:39])[CH:42]([CH3:44])[CH3:43]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 313Hydrochloric AcidHCID 3939Lithium HydroxideHCID 57971697HCID 57971697, compound

Product 1

HCID 57971644HCID 57971644, compound

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 8028Tetrahydrofuran
Solvent

Conditions

Temperature
50 °C

Procedure

(S)-2-[4-({[2-(1-Isobutoxy-ethoxycarbamoyl)-benzo[b]thiophen-6-ylmethyl]-amino}-methyl)-benzylamino]-3-phenyl-propionic acid cyclopentyl ester (40 mg, 0.06 mmol) was dissolved in THF (2 mL) and water (2 mL). LiOH (8 mg, 0.30 mmol) was added and the reaction mixture heated to 50° C. for 36 h. THF was removed by evaporation and the residue partitioned between water (10 mL) and EtOAc (10 mL). The aqueous layer was isolated and the pH adjusted to 3 by addition of 1M HCl. This was extracted with EtOAc (3×20 mL), the organic layers combined and evaporated to dryness.

Workup

  1. customTHF was removed by evaporation
  2. customthe residue partitioned between water (10 mL) and EtOAc (10 mL)
  3. customThe aqueous layer was isolated
  4. extractionThis was extracted with EtOAc (3×20 mL)
  5. customevaporated to dryness

Sources & evidence

ORD record
ord-4e7f6552278b4809b31e95904ae23f0d
Source dataset
uspto-grants-2011_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07939666B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes