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Hydrochloric Acid → N-(2-Chloro-4-cyano-6-methylphenyl)acetamide

HRID 917536
Notes
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Reaction equation

HRID 917536 reaction equation
[NH2:1][C:2]1[C:9]([CH3:10])=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[Cl:11].C[Si]([N-][Si](C)(C)C)(C)C.[Na+].[C:22](Cl)(=[O:24])[CH3:23].Cl>C1COCC1.O.C(Cl)Cl>[C:22]([NH:1][C:2]1[C:9]([CH3:10])=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[Cl:11])(=[O:24])[CH3:23]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 313Hydrochloric AcidHCID 6367Acetyl chlorideHCID 2724254Sodium bis(trimethylsilyl)amideHCID 27353014-Amino-3-chloro-5-methylbenzonitrile

Product 1

HCID 58962910N-(2-Chloro-4-cyano-6-methylphenyl)acetamideYield 34%

Reagents, catalysts & solvents 3

HCID 962
Water
Solvent
HCID 6344DichloromethaneSolvent
HCID 8028TetrahydrofuranSolvent2×

Procedure

To a stirred solution of 4-amino-3-chloro-5-methylbenzonitrile (0.516 g, 3.1 mmol) in 10 mL of THF at room temperature was added 6.6 mL of 1.0 M NaHMDS in THF. The resulting reaction mixture was stirred at room temperature for 30 min., at which time acetyl chloride (3.1 mmol) was added. DCM (100 mL) and water (100 mL) were added to the reaction mixture after being stirred overnight, followed by the addition of 5 mL of 1.4 N HCl aqueous solution. Layers were separated and the aqueous layer was extracted with DCM (2×100 mL). The extracts were combined and solvents were evaporated in vacuo. The residue was purified by flash chromatography (5-20% EtOAc/DCM) to give 0.220 g of 4-acetamido-3-chloro-5-methylbenzonitrile. 1H NMR (500 MHz, CDCl3) δ 7.57 (s, 1 H), 7.46 (s, 1 H), 7.02 (s, 1 H), 2.31 (s, 3 H), 2.26 (s, 3 H).

Workup

  1. customThe resulting reaction mixture
  2. additionwas added
  3. customLayers were separated
  4. extractionthe aqueous layer was extracted with DCM (2×100 mL)
  5. customsolvents were evaporated in vacuo
  6. customThe residue was purified by flash chromatography (5-20% EtOAc/DCM)

Sources & evidence

ORD record
ord-3fe4dab1c56147089ed38a8f368e6288
Source dataset
uspto-grants-2007_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07273882B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes