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Methanamine, N-methoxy-, hydrochloride (1:1) → N-Methoxy-N-methyl-3-(4-chlorophenyl)-2-(3-fluorophenyl)propanamide

HRID 133437
Notes
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Reaction equation

HRID 133437 reaction equation
Cl.[CH3:2][O:3][NH:4][CH3:5].[Cl-].C[Al+]C.[Cl:10][C:11]1[CH:16]=[CH:15][C:14]([CH2:17][CH:18]([C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([F:29])[CH:24]=2)[C:19](OC)=[O:20])=[CH:13][CH:12]=1>C(Cl)Cl>[CH3:2][O:3][N:4]([CH3:5])[C:19](=[O:20])[CH:18]([C:23]1[CH:28]=[CH:27][CH:26]=[C:25]([F:29])[CH:24]=1)[CH2:17][C:14]1[CH:13]=[CH:12][C:11]([Cl:10])=[CH:16][CH:15]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 81138Methanamine, N-methoxy-, hydrochloride (1:1)HCID 16098347Methyl 3-(4-chlorophenyl)-2-(3-fluorophenyl)propionateHCID 16686359Dimethylalumanylium chloride

Product 1

HCID 16098351N-Methoxy-N-methyl-3-(4-chlorophenyl)-2-(3-fluorophenyl)propanamide

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent
2×

Procedure

To a suspension N-methoxy-N-methylamine hydrochloride (2.0 g, 21 mmol) in 50 mL CH2Cl2 at 0° C. was added dimethylaluminum chloride (1 M in hexane, 21 mL, 21 mmol). After stirring at room temperature for 1 h, a solution of methyl 3-(4-chlorophenyl)-2-(3-fluorophenyl)propionate (Step A, 2.0 g, 10 mmol) in CH2Cl2 (10 mL) was added, and the resulting mixture was stirred overnight. The reaction mixture was quenched by addition of MeOH (5 mL), and the resulting mixture was concentrated with silica gel (50 g). The material was loaded onto a silica gel column, which was eluted with 10% EtOAc in hexane to 2% ammonia in MeOH (2 M) in 10% EtOAc/hexane to give the title compound. 1H NMR (400 MHz, CD3OD): δ 7.35-6.90 (m, 8H), 4.39 (br, 1H), 3.41 (s, 3H), 3.38-3.30 (m, 1H), 3.08 (s, 3H), 2.92 (dd, 1H). LC-MS: m/e 322 (M+H)+ (3.6 min).

Workup

  1. stirringthe resulting mixture was stirred overnight
  2. customThe reaction mixture was quenched by addition of MeOH (5 mL)
  3. concentrationthe resulting mixture was concentrated with silica gel (50 g)
  4. washwas eluted with 10% EtOAc in hexane to 2% ammonia in MeOH (2 M) in 10% EtOAc/hexane

Sources & evidence

ORD record
ord-bdb3a302d9924d91aa890ebc3c4f8da6
Source dataset
uspto-grants-2008_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07390835B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes