ChemicalBook CAS DataBase List 2-PENTANONE-1,1,1,3,3-D5

2-PENTANONE-1,1,1,3,3-D5 synthesis

3synthesis methods

Product Name:2-PENTANONE-1,1,1,3,3-D5
CAS Number:24313-49-3
Molecular formula:C5H5D5O
Molecular Weight:91.16

107-87-9
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24313-49-3
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$498.85/5MG

Yield:24313-49-3 92%

Reaction Conditions:

with water-d2;potassium carbonate in water-d2; for 72 h;Heating / reflux;

Steps:

4.1

Step 1 d₅-Pentan-2-one: A suspension containing pentan-2-one (10 g, 116 mmol) and potassium carbonate (1.5 g, 11 mmol) in deuterium oxide (90 mL) was heated at reflux for 72 hours. After cooling, the ketone was salted out of the water layer with excess potassium carbonate. The water layer was discarded and a partially deuterated ketone layer was obtained. This procedure was repeated to give the title compound (9.2 g, 92%) with 98% D-incorporation. ¹H NMR (300 MHz, CDCl₃) δ 1.59 (q, 2H, J=7.2 Hz), 0.91 (t, 3H, J=7.2 Hz).

References:

US2008/194529,2008,A1 Location in patent:Page/Page column 62

109-67-1 Synthesis