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Triethylamine → 4-((4-((((3-Isopropyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)carbonyl)amino)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-carboxylic acid

HRID 645973
Notes
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Reaction equation

HRID 645973 reaction equation
[CH:1]([N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[NH:6][C:5]1=[O:13])([CH3:3])[CH3:2].[N+](C1C=C[C:20]([O:23]C(Cl)=O)=CC=1)([O-])=O.CCN(CC)CC.CC1C=CC(S(O)(=O)=O)=CC=1.[NH2:45][CH2:46][CH:47]1[CH2:52][CH2:51][N:50]([CH2:53][C:54]2([C:60]([OH:62])=[O:61])[CH2:59][CH2:58][O:57][CH2:56][CH2:55]2)[CH2:49][CH2:48]1>C(Cl)Cl>[CH:1]([N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[N:6]([C:20]([NH:45][CH2:46][CH:47]2[CH2:52][CH2:51][N:50]([CH2:53][C:54]3([C:60]([OH:62])=[O:61])[CH2:59][CH2:58][O:57][CH2:56][CH2:55]3)[CH2:49][CH2:48]2)=[O:23])[C:5]1=[O:13])([CH3:3])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 8471TriethylamineHCID 821294-Nitrophenyl chloroformateHCID 16535801-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-oneHCID 866021174-{[4-(aminomethyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylic acid 4-methylbenzenesulfonate

Product 1

HCID 11712263
4-((4-((((3-Isopropyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)carbonyl)amino)methyl)piperidin-1-yl)methyl)tetrahydro-2H-pyran-4-carboxylic acid
Yield 73%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent2×

Procedure

A mixture of 1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one (1.0 g, 5.7 mmol) and chloroformic acid 4-nitrophenyl ester (1.14 g, 5.7 mmol) in CH2Cl2 (20 mL) was stirred at room temperature for 5 min under N2. To this mixture, Et3N (1.7 mL, 12.5 mmol) was added slowly and this generated mixture was added to a mixture of 4-{[4-(aminomethyl)piperidin-1-yl]methyl}tetrahydro-2H-pyran-4-carboxylic acid 4-methylbenzenesulfonate (2.4 g, 5.7 mmol, Step 12) in CH2Cl2 (15 mL) at rt. The resulting mixture was stirred at room temperature for 2 hrs. This mixture was washed with 0.5 N HCl aq (100 mL) and the organic layer was washed with saturated NaHCO3 aq (75 ml) then the organic layer was concentrated. The residue was diluted with EtOAc (75 mL) and it was concentrated until ca 15 mL. After seeding of the product, this mixture was stirred at room temperature for 30 min. During this procedure, the solid was formed and this mixture was filtered: Obtained solid was washed with EtOAc (10 mL), dried at 50° C. under vacuum to give 1.9 g (73%) of the titled compound as white solid.

Workup

  1. stirringThe resulting mixture was stirred at room temperature for 2 hrs
  2. washThis mixture was washed with 0.5 N HCl aq (100 mL)
  3. washthe organic layer was washed with saturated NaHCO3 aq (75 ml)
  4. concentrationthe organic layer was concentrated
  5. additionThe residue was diluted with EtOAc (75 mL) and it
  6. concentrationwas concentrated until ca 15 mL
  7. stirringthis mixture was stirred at room temperature for 30 min
  8. customDuring this procedure, the solid was formed
  9. filtrationthis mixture was filtered
  10. customObtained solid
  11. washwas washed with EtOAc (10 mL)
  12. customdried at 50° C. under vacuum

Sources & evidence

ORD record
ord-9bfeb8fd3b044370b3c849535f950f89
Source dataset
uspto-grants-2010_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07705020B2

Reaction notes

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