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Chemical Structure| 95967-46-7 Chemical Structure| 95967-46-7

Structure of 95967-46-7

Chemical Structure| 95967-46-7

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Product Details of [ 95967-46-7 ]

CAS No. :95967-46-7
Formula : C15H20O4
M.W : 264.32
SMILES Code : O=C(OC(C)(C)C)CC(COCC1=CC=CC=C1)=O
MDL No. :MFCD11849506
InChI Key :NQCSIYAFJRYQHX-UHFFFAOYSA-N
Pubchem ID :12035485

Safety of [ 95967-46-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 95967-46-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 95967-46-7 ]

[ 95967-46-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 74530-56-6 ]
  • [ 100-51-6 ]
  • [ 95967-46-7 ]
  • 2
  • [ 74530-56-6 ]
  • [ 95967-46-7 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; benzyl alcohol; In tetrahydrofuran; EXAMPLE 1 STR34 tert.-Butyl 4-benzyloxyacetoacetate A solution of 64.9 g=62.1 ml (0.6 mol) of benzyl alcohol in 50 ml of tetrahydrofuran was added dropwise to an ice-cooled suspension of 18.0 g (0.6 mol) of sodium hydride (80% strength in parafin oil) in 150 ml of anhydrous tetrahydrofuran in the course of 1 hour with ice-cooling. Thereafter, the mixture was subsequently stirred at room temperature for 0.5 hour. A solution of 57.8 g (0.3 mol) of tert.-butyl 4-chloroacetoacetate in 50 ml of tetra-hydrofuran was added dropwise at 0 C. in the course of 1 hour. The ice-bath was removed and the reaction mixture was stirred at room temperature for a further hour and neutralized by careful addition of 0.5N HCl, with cooling (pH control). The mixture was extracted several times with ether and the combined ether extracts were washed with water and dried over MgSO4. Evaporation of the ether in vacuo gave an oil, which was purified by chromatography on 1.7 kg of silica gel (toluene:ethyl acetate 95:5). 41.7 g (53%) of tert.-butyl 4-benzyloxyacetoacetate were obtained, RF: 0.47 (toluene:ethyl acetate 9:1). 1 H-NMR (200 MHz, CDCl3) δ 1.50 (s, 9H, C(CH3)3), 3.48 (s, 2H, CH2), 4.18 (s, 2H, CH2), 4.63 (s, 2H, CH2) and 7.40 (s, 5H, Ph). IR (CHCl3) 1740-1710 (c=0, β-keto ester) and 1656 cm-1 (C=C, enol form). C15 H20 O4 (264.3) calculated: C 68.2, H 7.6; found: C 68.2, H 7.6.
 

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