تفاعل #487502

ord-ba3c6c58135c408d9a7c738f4e528254

معادلة التفاعل

CC1C(=O)CCC1=O
2-methyl-1,3-cyclopentanedione
CI
methyl iodide
[K+].[OH-]
KOH
C1COCCO1
dioxane
[K+].[OH-]
KOH
CI
MeI
C1COCCO1
dioxane
[K+].[OH-]
KOH
CI
MeI
C1COCCO1
dioxane
CC1(C)C(=O)CCC1=O
oil
المردود 93.0%
CC1(C)C(=O)CCC1=O
2,2-Dimethyl-cyclopentane-1,3-dione
المردود 93.0%

المذيبات

ظروف التفاعل

الظروف التفصيلية
See reaction.notes.procedure_details.

المعالجة

  1. 1
    أخرىSynthesized
  2. 2
    درجة الحرارةwas heated
  3. 3
    درجة الحرارةat reflux
  4. 4
    درجة الحرارةat reflux
  5. 5
    درجة الحرارةheating
  6. 6
    درجة الحرارةat reflux
  7. 7
    workup.WAITAfter 4 hours
  8. 8
    درجة الحرارةthe mixture was cooled to room temperature
  9. 9
    استخلاصextracted with ether (1×100 mL, 3×75 mL)
  10. 10
    أخرىThe combined ether extracts were evaporated
  11. 11
    أخرىplaced in a 120° C.
  12. 12
    أخرى(ca. 15 minutes)
  13. 13
    درجة الحرارةThe mixture was cooled to room temperature
  14. 14
    workup.ADDITIONneutralized by addition of saturated NaHCO3 solution (150 mL)
  15. 15
    استخلاصthe resulting mixture extracted with CH2Cl2 (4×75 mL)
  16. 16
    تجفيفThe combined CH2Cl2 solution was dried (MgSO4)
  17. 17
    ترشيحfiltered
  18. 18
    أخرىevaporated

الإجراء التجريبي

Synthesized according to Agosta and Smith, J. Org. Chem. 35: 3856 (1970) A mixture of 2-methyl-1,3-cyclopentanedione (10.025 g, 89.4 mmol, Aldrich), methyl iodide (6.0 mL, 96.4 mmol, Aldrich), and KOH (5.097 g, 90.8 mmol) in water (25 mL)/dioxane (75 mL) was heated at reflux. After 5 hours, a solution of KOH (2 g) and MeI (2.4 mL) in water (5 mL)/dioxane (15 mL) was added and after another 3 hours at reflux, the solution was stirred at room temperature overnight. A solution of KOH (2 g) and MeI (2.4 mL) in water (5 mL)/dioxane (15 mL) was added to the overnight reaction and heating at reflux. After 4 hours, the mixture was cooled to room temperature and extracted with ether (1×100 mL, 3×75 mL). The combined ether extracts were evaporated, the residue combined with 10% HCl (50 mL), and the resulting mixture placed in a 120° C. oil bath until it began boiling (ca. 15 minutes). The mixture was cooled to room temperature, neutralized by addition of saturated NaHCO3 solution (150 mL) and the resulting mixture extracted with CH2Cl2 (4×75 mL). The combined CH2Cl2 solution was dried (MgSO4), filtered and evaporated to leave a brown oil (10.474 g, 83 mmol, 93%) which was used directly in the next step.

المصدر

DOI: 10.6084/m9.figshare.5104873.v1براءة الاختراع: US08741281B2uspto-grants-2014_06