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[ CAS No. 2516-97-4 ]

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Chemical Structure| 2516-97-4
Chemical Structure| 2516-97-4
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Product Details of [ 2516-97-4 ]

CAS No. :2516-97-4 MDL No. :MFCD00051843
Formula : C3H6O4S Boiling Point : 423.6°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :138.14 g/mol Pubchem ID :3732841
Synonyms :

Safety of [ 2516-97-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2516-97-4 ]

  • Upstream synthesis route of [ 2516-97-4 ]
  • Downstream synthetic route of [ 2516-97-4 ]

[ 2516-97-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 64-17-5 ]
  • [ 2516-97-4 ]
  • [ 4455-15-6 ]
YieldReaction ConditionsOperation in experiment
89% With hydrogenchloride In 1,4-dioxane for 16 h; Heating / reflux [0348] Method 14-1: Schemes 14a describes the synthesis of compound 72 of Formula IScheme 14aO O OMethanesulfonyl-acetic acid (69) (5 3 g, 38 4 mmol) was suspended in ethyl alcohol (5O mL) A 4M solution of HCl in dioxane (8 mL) was added The mixture stirred at reflux for 0 5 h, everything had dissolved at this point The mixture continued to stir at reflux for a total of 16 h Upon cooling, the solution was concentrated in vacuo to approximately 20 mL The oil was diluted with ethyl acetate (300 mL), washed with water (100 mL), brine (100 ml), dried over magnesium sulfate and concentrated in vacuo to a golden oil Purification by flash column chromatography (30percent ethyl acetate in hexanes, Merck silica gel 60, 40-63 μm) afforded the desired product, methanesulfonyl-acetic acid ethyl ester (70) (5 67 g, 34 12 mmol, 89 percent yield), as a <n="161"/>clear oil upon concentrating. 1HNMR (400 MHz, DMSO-d6) δ: 1.22 (3H, t, J= 7.0 Hz), 3.13 (3H, s), 4.17 (2H, quartet, J= 7.0 Hz), 4.38 (2H, s).
Reference: [1] Patent: WO2008/82725, 2008, A1, . Location in patent: Page/Page column 159-160
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