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Chemical Structure| 30506-29-7 Chemical Structure| 30506-29-7

Structure of 30506-29-7

Chemical Structure| 30506-29-7

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Product Details of [ 30506-29-7 ]

CAS No. :30506-29-7
Formula : C8H9BrOS
M.W : 233.13
SMILES Code : O=S(C1=CC=C(Br)C=C1)CC

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Application In Synthesis of [ 30506-29-7 ]

* 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 [ 30506-29-7 ]

[ 30506-29-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 30506-29-7 ]
  • [ 30506-30-0 ]
  • 3
  • [ 30506-30-0 ]
  • [ 30506-29-7 ]
YieldReaction ConditionsOperation in experiment
92% With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20℃; for 3h;Inert atmosphere; General procedure: To a solution of the corresponding intermediate of formula (II) (1.00 equiv) in anhydrous DCM (14 mL/mmol)under an argon atmosphere, a solution of m-chloroperbenzoic acid (77%, 1.05 equiv) in anhydrous DCM (4.8 mL/mmol)was added at a rate of 8 mL/min at 0 C, and the reaction was stirred for 30 min before warming up to rt. After 3 h, themixture was filtered with a short pad of silica gel and washed with sat. aqueous NaHCO3. Next, the aqueous layer wasextracted with DCM (x3), and the combined organic layers were washed with water, dried over Na2SO4, and concentratedunder reduced pressure. The residue was purified by column chromatography to afford the desired intermediate offormula (V).Following the previous general procedure, intermediate Va was obtained starting from IIc (CAS registry number: 30506-30-0) (1.08 g, 4.97 mmol) as an oil (1.06 g, 92%). Chromatography: hexane to hexane/EtOAc 7:3. Rf: 0.36 (hexane/EtOAc 2:8). IR (ATR): v 1572 (Ar), 1313, 1145 (SO). 1H-NMR (CDCl3): δ 1.97 (t, J = 7.4, 3H, CH3), 2.68-2.80 (m, 1H, 1/2CH2), 2.85-2.96 (m, 1 H, 1/2CH2), 7.48 (d, J = 8.5, 2H, H2, H6), 7.66 (d, J = 8.3, 2H, H3, H5). 13C-NMR (CDCl3): δ 7.6 (CH3), 50.8 (CH2), 129.2 (C1), 129.4 (C3, C5), 132.7 (C2, C6), 137.8 (C4). MS (ESI, m/z, %): 233.0 ([M(79Br) + H]+, 100), 235.0 ([M(81Br) + H]+, 100). CAS registry number: 30506-29-7.
 

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