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Hydrochloric Acid → 4-Chloro-2-fluoro-3-methoxybenzamidine hydrochloride

HRID 1912303
Notes
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Reaction equation

HRID 1912303 reaction equation
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([F:10])[C:3]=1[O:11][CH3:12].C[Si]([N-:17][Si](C)(C)C)(C)C.[Li+].CC(O)C.Cl>C1COCC1.CCOCC>[ClH:1].[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]([NH2:17])=[NH:7])=[C:4]([F:10])[C:3]=1[O:11][CH3:12]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 2733832Lithium hexamethyldisilazaneHCID 591269414-Chloro-2-fluoro-3-methoxybenzonitrile

Product 1

HCID 670174564-Chloro-2-fluoro-3-methoxybenzamidine hydrochlorideYield 156.9%

Reagents, catalysts & solvents 2

HCID 3283
Diethyl Ether
Solvent
HCID 8028TetrahydrofuranSolvent

Conditions

Temperature
25 °C

Procedure

4-chloro-2-fluoro-3-methoxybenzonitrile (3.0 g, 16 mmol) was dissolved in 7 mL dry THF and added dropwise to a 1M solution of lithium bis(trimethylsilyl)amide (18 mL, 18 mmol). After stirring at 25° C. for 5 h, the mixture was treated with 25 mL of 2-propanol saturated with gaseous HCl. Upon standing at 5° C. for 18 h, the mixture was diluted with 30 mL ether whereupon the product precipitated. The precipitated product was collected by filtration, washed with ether and dried under vacuum to give the title compound (3.0 g, 78.6% yield): 1H NMR (DMSO-d6) δ 9.70 (br d, 3H), 7.58 (m, 1H), 7.46 (m, 1H), 7.39 (br d, 1H), 3.96 (s, 3H).

Workup

  1. waitUpon standing at 5° C. for 18 h
  2. customprecipitated
  3. filtrationThe precipitated product was collected by filtration
  4. washwashed with ether
  5. customdried under vacuum

Sources & evidence

ORD record
ord-fe22bd99c3f949f497aab6a7f87bc449
Source dataset
uspto-grants-2013_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08609592B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes