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Chemical Structure| 815-52-1 Chemical Structure| 815-52-1

Structure of 815-52-1

Chemical Structure| 815-52-1

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Product Details of [ 815-52-1 ]

CAS No. :815-52-1
Formula : C5H9BrO
M.W : 165.03
SMILES Code : CC(Br)C(CC)=O
MDL No. :MFCD11036312

Safety of [ 815-52-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319
Precautionary Statements:P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 815-52-1 ]

* 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 [ 815-52-1 ]

[ 815-52-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 815-52-1 ]
  • [ 1196473-37-6 ]
  • [ 1268390-45-9 ]
YieldReaction ConditionsOperation in experiment
38% H181 (150 mg, 1.0 mmol) was dissolved in DMF (6.0 mL) and cooled to 0 °C with ice bath. To this solution under nitrogen were added in sequence NaH (60percent> in mineral oil, 160 mg, 4.0 mmol) and 2-bromopentan-3-one (660.12 mg, 4.0 mmol). The reaction mixture was stirred for 1 d then treated with 1.0 M HC1 (10.0 mL). After extraction with ethyl acetate, the organic phase was washed with water and brine, and dried over anhydrous Na2S04. The residue after rotary evaporation was purified by column chromatography over silica gel to give the title compound (88.9 mg, 38percent yield). 1H NMR (400 MHz, CDC13): delta 7.21 (d, J = 8.1 Hz, 1H), 7.06 (d, J = 2.4 Hz, 1H), 6.98 (dd, J = 8.4 2.7 Hz, 1H), 5.00 (s, 2H), 4.67 (q, J = 6.8 Hz, 1H), 2.73-2.61 (m, 1H), 2.49-2.39 (m, 1H), 1.47 (d, J = 6.8 Hz, 3H) and 0.99 (t, J = 7.2 Hz, 3H) ppm; Mp: 72-74 °C.
 

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