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Chemical Structure| 53432-87-4 Chemical Structure| 53432-87-4

Structure of 53432-87-4

Chemical Structure| 53432-87-4

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Product Details of [ 53432-87-4 ]

CAS No. :53432-87-4
Formula : C7H12O2
M.W : 128.17
SMILES Code : O=C(OCC)CC1CC1
MDL No. :MFCD11976041
InChI Key :AODPICOFZRYWKI-UHFFFAOYSA-N
Pubchem ID :12453023

Safety of [ 53432-87-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H302-H315-H319-H332-H335
Precautionary Statements:P210-P261-P271-P280-P301+P312-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P370+P378-P403+P235-P501
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 53432-87-4 ]

* 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 [ 53432-87-4 ]

[ 53432-87-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 53432-87-4 ]
  • [ 1200828-74-5 ]
YieldReaction ConditionsOperation in experiment
Step A. Ethyl 2-bromo-2-cyclopropylacetate Methyl 2-cyclopropylacetate (4 g, 35 mmol) in THF (10 mL) was added dropwise over 5 minutes to a stirring solution of LDA (23 mL, 35 mmol, 1.8 M solution) in THF (80 mL) at -78 C. The reaction was stirred at this temperature for 20 minutes, and then trimethylchlorosilane (7 mL, 53 mmol) was added dropwise over 2 minutes. The reaction was stirred at -78 C for 20 minutes, and a solution of NBS (14 g, 77 mmol) in THF (10 mL) was added dropwise over 3 minutes. The reaction was allowed to warm to room temperature overnight. The reaction was treated with ethyl acetate and water. The separated organic layer was washed with brine, dried over MgS04, filtered and evaporated under a vacuum. Flash column chromatography (80 g, Si02, gradient elution with 1 :0 to 1 : 1 hexanes: ethyl acetate) gave the racemic title compound. 1H NMR (400 MHz, CDC13, delta ppm): 4.26 (q, J= 7.1 Hz, 2H), 3.45 (d, J= 10.4 Hz, 1H), 1.54 - 1.66 (m, 1H), 1.24 - 1.36 (m, 3H), 0.79 - 0.89 (m, 2H), 0.50 - 0.60 (m, 1H), 0.39 - 0.49 (m, 1H).
 

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