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Chemical Structure| 122024-71-9 Chemical Structure| 122024-71-9

Structure of 122024-71-9

Chemical Structure| 122024-71-9

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Product Details of [ 122024-71-9 ]

CAS No. :122024-71-9
Formula : C16H10Cl2O2S
M.W : 337.22
SMILES Code : O=C(Cl)C1=C(Cl)C2=CC(OCC3=CC=CC=C3)=CC=C2S1

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* 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 [ 122024-71-9 ]

[ 122024-71-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 122024-75-3 ]
  • [ 122024-71-9 ]
YieldReaction ConditionsOperation in experiment
61% With pyridine; thionyl chloride;N,N-dimethyl-formamide; In chlorobenzene; at 120℃; for 22h;Inert atmosphere; Methyl 5-(benzyloxy)-3-chlorobenzo[6]thiophene-2-carboxylate (5).; To a mixture of 4 (8.80 g, 34.6 mmol) in chlorobenzene (50 mL), anhydrous pyridine (0.26 mL, 3.29 mmol) and anhydrous DMF (2.60 mL) was added dropwise SOCl2 (12.6 mL, 173 mmol) at room temperature. The reaction mixture was heated at 120 C for 22 h under N2. The solution was concentrated by rotary evaporation and traces of pyridine were removed by azeotropic distillation with toluene. The resulting brown oil was dried under high vacuum overnight to yield a brown solid, which was suspended in Et20, filtered and dried under high vacuum to yield 3-chloro-5-(benzyloxy)-benzo[£]thiophene-2-carbonyl chloride (5.87 g). Upon cooling the filtrate, a second crop of product (1.25 g) was collected by filtration (7.12 g, 61% combined yield). Representative experimental data are as follows: Mp 138-143 C (lit Mp 139-142 C);3 IR (ATR, neat) 1745, 1602, 1483, 1284, 1158 cm"1; 1H NMR (DMSO- d6, 600 MHz) delta 8.01 (d, 1 H, J= 8.8 Hz), 7.50 (d, 2 H, J= 7.3 Hz), 7.44 (d, 1 H, J= 2.3 Hz), 7.41 (t, 2 H, J= 7.3 Hz), 7.37-7.33 (m, 2 H), 5.25 (s, 2 H); MS (EI) m/z 338 (90), 336 (M+, 100), 303 (40), 301 ([M-C1]+, 88).
 

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