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Cyclopentanone → Methyl 4-(N-cyclopentylamino)-3-iodobenzoate

HRID 11416
Notes
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Reaction equation

HRID 11416 reaction equation
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[I:12].[C:13]1(=O)[CH2:17][CH2:16][CH2:15][CH2:14]1.S([O-])([O-])(=O)=O.[Na+].[Na+].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)(O)[O-].[Na+]>C(O)(=O)C>[CH:13]1([NH:1][C:2]2[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=2[I:12])[CH2:17][CH2:16][CH2:15][CH2:14]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 8452CyclopentanoneHCID 24436Sodium SulfateHCID 516892Sodium BicarbonateHCID 4104649Methyl 4-amino-3-iodobenzoateHCID 5049666Sodium triacetoxyborohydride

Product 1

HCID 21974264Methyl 4-(N-cyclopentylamino)-3-iodobenzoate

Reagents, catalysts & solvents

1
HCID 176Acetic AcidSolvent

Procedure

A mixture of methyl 4-amino-3-iodobenzoate from above (27.69 g, 100 mmol), cyclopentanone (52.8 mL, 600 mmol), and anhydrous sodium sulfate (1000 g, 142 mmol) in 500 mL of glacial acetic acid was stirred for two hours. Solid sodium triacetoxyborohydride (76.92, 345 mmol) was added in portions and stirred for 16 hrs at room temperature. The mixture was poured on to cool 900 mL of saturated aqueous sodium bicarbonate solution carefully and extracted with 150 mL (3×) of ethyl acetate. The ethyl acetate fraction was dried and evaporated. Purification with silica gel and 0.5% ethyl acetate in hexane gave 24 g (70%).

Workup

  1. stirringstirred for 16 hrs at room temperature
  2. additionThe mixture was poured on
  3. extractionextracted with 150 mL (3×) of ethyl acetate
  4. dry with materialThe ethyl acetate fraction was dried
  5. customevaporated
  6. customPurification with silica gel and 0.5% ethyl acetate in hexane
  7. customgave 24 g (70%)

Sources & evidence

ORD record
ord-2a913d18f5f04d3f8b60c7d5ab1a93c6
Source dataset
uspto-grants-2006_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07098231B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes