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2-Amino-N-isopropylacetamide → HCID 44203076, compound

HRID 1161848
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Reaction equation

HRID 1161848 reaction equation
[F:1][C:2]1[CH:3]=[CH:4][C:5]([N+:11]([O-:13])=[O:12])=[C:6]([CH:10]=1)[C:7]([OH:9])=O.O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.[NH2:37][CH2:38][C:39]([NH:41][CH:42]([CH3:44])[CH3:43])=[O:40]>CN(C=O)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([N+:11]([O-:13])=[O:12])=[C:6]([CH:10]=1)[C:7]([NH:37][CH2:38][C:39](=[O:40])[NH:41][CH:42]([CH3:44])[CH3:43])=[O:9]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 5338492-Amino-N-isopropylacetamideHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 27374205-Fluoro-2-nitrobenzoic acidHCID 27960291-Hydroxybenzotriazole hydrate

Product 1

HCID 44203076HCID 44203076, compoundYield 70%

Reagents, catalysts & solvents 1

HCID 6228DimethylformamideSolvent

Procedure

To a solution of 5-fluoro-2-nitrobenzoic acid (370 mg, 2.0 mmol) in anhydrous DMF (5 mL) was added 1-hydroxybenzotriazole hydrate (330 mg, 2.4 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (460 mg, 2.4 mmol) and 2-amino-N-isopropylacetamide (INTERMEDIATE I.1) (230 mg, 2.0 mmol). The resultant mixture was stirred at room temperature for 18 h. The reaction mixture was concentrated in vacuo, the crude yellow residue dissolved in EtOAc (20 mL) and washed with dilute HCl (aq.) (3×5 mL), sat. NaHCO3 (aq.) (3×5 mL) and brine (1×5 mL). The organic layer was dried (Na2SO4), concentrated in vacuo and purified by chromatography on silica gel with MeOH:DCM (1:19, v/v) as eluent to afford 5-fluoro-N-(isopropylcarbamoylmethyl)-2-nitrobenzamide (INTERMEDIATE IV.1) (400 mg, 1.4 mmol, 70%) as yellow solid.

Workup

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. dissolutionthe crude yellow residue dissolved in EtOAc (20 mL)
  3. washwashed with dilute HCl (aq.) (3×5 mL), sat. NaHCO3 (aq.) (3×5 mL) and brine (1×5 mL)
  4. dry with materialThe organic layer was dried (Na2SO4)
  5. concentrationconcentrated in vacuo
  6. custompurified by chromatography on silica gel with MeOH:DCM (1:19, v/v) as eluent

Sources & evidence

ORD record
ord-0ad233d7080e4ba19840f1735b7c5a3a
Source dataset
uspto-grants-2010_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07820649B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes