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Acetate → 6-Chloro-3-isothiocyanato-4-methylpyridazine

HRID 1398819
Notes
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Reaction equation

HRID 1398819 reaction equation
[Cl:1][C:2]1[N:7]=[N:6][C:5]([NH2:8])=[C:4]([CH3:9])[CH:3]=1.[C:10](Cl)(Cl)=[S:11].O.C([O-])(=O)C>C(=O)(O)[O-].[Na+].O1CCCC1>[Cl:1][C:2]1[N:7]=[N:6][C:5]([N:8]=[C:10]=[S:11])=[C:4]([CH3:9])[CH:3]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 175AcetateHCID 962WaterHCID 10040ThiophosgeneHCID 123536646-Chloro-4-methylpyridazin-3-amine

Product 1

HCID 866328736-Chloro-3-isothiocyanato-4-methylpyridazineYield 8.2%

Reagents, catalysts & solvents 2

HCID 8028Tetrahydrofuran
Solvent
HCID 516892Sodium BicarbonateSolvent

Procedure

To a solution of 6-chloro-4-methylpyridazin-3-amine (2.86 g, 20.0 mmol) in aqueous sodium bicarbonate (10 mL) and tetrahydrofuran (40 mL) was added thiophosgene (1.69 mL, 22.0 mmol) dropwise at 0° C. After stirring for 1 hr, water and ethyl, acetate were added to the mixture and the insoluble materials were filtered off. The filtrate was washed with brine, dried over anhydrous sodium sulfate and concentrated in vacuo. The residue was purified by flash chromatography on silica gel eluting with a 10-50% ethyl acetate/n-hexane gradient mixture. The filtrate was concentrated in vacuo to give the title compound (304 mg, 1.64 mmol, 8%) as a pale yellow solid.

Workup

  1. filtrationthe insoluble materials were filtered off
  2. washThe filtrate was washed with brine
  3. dry with materialdried over anhydrous sodium sulfate
  4. concentrationconcentrated in vacuo
  5. customThe residue was purified by flash chromatography on silica gel eluting with a 10-50% ethyl acetate/n-hexane gradient mixture
  6. concentrationThe filtrate was concentrated in vacuo

Sources & evidence

ORD record
ord-a40b56ffdda44bd18a95220245db8f7f
Source dataset
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08901141B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes