Acetonitrile → HCID 178512529, compound

HRID 526822Notes

Reaction equation

HRID 526822 reaction equation
FC(F)(F)C(O)=O.[NH:8]([C:12]1[CH:41]=[CH:40][C:15]([C:16]([O:18][C:19]2[CH:39]=[CH:38][C:22]3[C@@H:23]([CH2:26][C:27]([NH:29][C@H:30]([C:35]([OH:37])=[O:36])[CH2:31][C:32]([OH:34])=[O:33])=[O:28])[CH2:24][O:25][C:21]=3[CH:20]=2)=[O:17])=[CH:14][CH:13]=1)[C:9]([NH2:11])=[NH:10].C(#N)C>O>[NH:8]([C:12]1[CH:13]=[CH:14][C:15]([C:16]([O:18][C:19]2[CH:39]=[CH:38][C:22]3[C@@H:23]([CH2:26][C:27]([NH:29][C@H:30]([C:35]([OH:37])=[O:36])[CH2:31][C:32]([OH:34])=[O:33])=[O:28])[CH2:24][O:25][C:21]=3[CH:20]=2)=[O:17])=[CH:40][CH:41]=1)[C:9]([NH2:11])=[NH:10]

Participants

4

Reactant 2

HCID 6342AcetonitrileHCID 178512530HCID 178512530, compound

Product 1

HCID 178512529HCID 178512529, compoundYield 91%

Reagents, catalysts & solvents 1

HCID 962WaterSolvent

Procedure

A mixture of N-(((3R)-6-((4-carbamimidamidobenzoyl)oxy)-2,3-dihydro-1-benzofuran-3-yl)acetyl)-L-aspartic acid trifluoroacetate (2.897 g), acetonitrile (15 mL), and water (75 mL) was stirred overnight at room temperature. The precipitate was collected by filtration, then washed with acetonitrile/water (1:10), and dried under reduced pressure at 60 C to obtain the title compound (2.123 g).

Workup

  1. filtrationThe precipitate was collected by filtration
  2. washwashed with acetonitrile/water (1:10)
  3. customdried under reduced pressure at 60 C

Sources & evidence

ORD record
ord-9e5cc28c2b5941268c339768acc62f22
Source dataset
uspto-grants-2016_05
Patent number
US09346776B2

Reaction notes

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