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Chemical Structure| 5205-39-0 Chemical Structure| 5205-39-0

Structure of 5205-39-0

Chemical Structure| 5205-39-0

Ethyl 5-chloro-5-oxopentanoate

CAS No.: 5205-39-0

4.5 *For Research Use Only !

Cat. No.: A1208015 Purity: 98%

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Product Details of [ 5205-39-0 ]

CAS No. :5205-39-0
Formula : C7H11ClO3
M.W : 178.61
SMILES Code : CCOC(CCCC(Cl)=O)=O
MDL No. :MFCD00013659

Safety of [ 5205-39-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H227-H290
Precautionary Statements:P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 5205-39-0 ]

* 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 [ 5205-39-0 ]

[ 5205-39-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1070-62-8 ]
  • [ 5205-39-0 ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride; for 4h;Inert atmosphere; Reflux; 80 g of <strong>[1070-62-8]5-ethoxy-5-oxopentanoic acid</strong> (0.5 mol) were placed in 150 ml of thionyl chloride in a 1 I three-necked flask equipped with a thermometer, a condenser, an argon inlet, a bubbler, a dropping funnel and a magnetic stirrer. The mixture was then brought, with stirring, to the reflux of the thionyl chloride for 4 hours and then 80 g of bromine (0.5 mol) were added dropwise so as to maintain the bromine vapours in thereactor. The reflux was thus maintained for 5 hours after the addition of bromine and then the mixture was allowed to return to ambient temperature.Evaporation under reduced pressure was then carried out in order to obtain a lightly coloured oil. This oil was then added, dropwise, to 500 ml of ethanol while keeping the temperature at 10°C by means of an ice bath. Evaporation under reduced pressurewas subsequently carried out, and then the residue was purified by vacuum distillation. A colourless oil was thus obtained, the analyses of which are in accordance with the chemical structure.
  • 2
  • [ 7719-09-7 ]
  • [ 1070-62-8 ]
  • [ 5205-39-0 ]
  • 3
  • [ 5205-39-0 ]
  • [ 781-17-9 ]
  • ethyl 4,5,9,10-tetrahydro-2-pyrene-5-oxopentanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% With aluminum (III) chloride; In carbon disulfide; at -10 - 20℃; for 39h; General procedure: A mixture of acetyl chloride (1.1 eq, 0.21 g, 2.67 mmol) and anhydrous AlCl3 (1.2 eq, 0.39 g, 2.92 mmol) in CS2 was cooled to -10C and a solution of <strong>[781-17-9]4,5,9,10-tetrahydropyrene</strong> 2 (0.5 g, 2.43 mmol) in CS2 was gradually added during 3 hours. The reaction mixture was stirred at room temperature for 2 days, then poured on ice and the mixture was extracted with diethyl ether (3 x 25 mL). The combined extracts were dried over MgSO4 and concentrated to dryness under reduced pressure to give an oily residue. Purification by column chromatography (silica gel, ethyl acetate: n-hexane 1:9). Crystallization from DCM:EtOH (1:9) yielded 7 as yellow crystals afforded the product (0.53 g, 2.14 mmol, 88 %);
 

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