Hydrochloric Acid → 3-Oxo-3-[(1,3-thiazol-2-yl)amino]propanoic acid

HRID 418642Notes

Reaction equation

HRID 418642 reaction equation
[NH2:1][C:2]1[S:3][CH:4]=[CH:5][N:6]=1.Cl[C:8](=[O:14])[CH2:9][C:10]([O:12]C)=[O:11].[Li+].[OH-].O.Cl>C(Cl)Cl.C1COCC1.O>[O:14]=[C:8]([NH:1][C:2]1[S:3][CH:4]=[CH:5][N:6]=1)[CH2:9][C:10]([OH:12])=[O:11]

Participants

8

Procedure

To a solution of 2-aminothiazole (2.0 g, 19.97 mmol) in dry DCM (30 ml) at 0° C. was added TEA (4.03 g, 2 eq, 39.94 mmol) and methyl 3-chloro-3-oxopropanoate (3.0 g, 1.1 eq, 21.97 mmol). The reaction mixture was stirred for 1 hr at room temperature. The reaction mixture was concentrated to dryness, dissolved in EtOAc and washed well with water. The organic phase was collected, dried over anhydrous sodium sulfate then filtered and concentrated. The resultant solid was triturated with Et2O and used directly in the next step with no additional purification (1.1 g, 30% yield). To a solution of the ester 128 (500 mg, 2.49 mmol) in THF/water (1:1, 20 ml) was added LiOH×H2O (209 mg, 2 eq, 4.98 mmol) and the mixture stirred for 2 hrs at room temperature. The mixture was neutralized with 1 M HCl solution and adsorbed onto silica gel. Purification by column chromatography (60% EtOAc in hexanes) afforded the acid 129 as a white solid (320 mg, 69% yield). MS (m/z): 187.2 (M+H).

Workup

  1. concentrationThe reaction mixture was concentrated to dryness
  2. dissolutiondissolved in EtOAc
  3. washwashed well with water
  4. customThe organic phase was collected
  5. dry with materialdried over anhydrous sodium sulfate
  6. filtrationthen filtered
  7. concentrationconcentrated
  8. customThe resultant solid was triturated with Et2O
  9. customused directly in the next step with no additional purification (1.1 g, 30% yield)
  10. stirringthe mixture stirred for 2 hrs at room temperature
  11. customPurification by column chromatography (60% EtOAc in hexanes)

Sources & evidence

ORD record
ord-5d43b5c08b9643b9848ad9f616cb794a
Source dataset
uspto-grants-2012_01
Patent number
US08093264B2

Reaction notes

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