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Chemical Structure| 62119-77-1 Chemical Structure| 62119-77-1

Structure of 62119-77-1

Chemical Structure| 62119-77-1

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Product Details of [ 62119-77-1 ]

CAS No. :62119-77-1
Formula : C7H8OS
M.W : 140.20
SMILES Code : CC(CC1=CSC=C1)=O
MDL No. :MFCD09834575
InChI Key :CBKDLNBMOXQRLZ-UHFFFAOYSA-N
Pubchem ID :529949

Safety of [ 62119-77-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 62119-77-1 ]

* 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 [ 62119-77-1 ]

[ 62119-77-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6964-21-2 ]
  • [ 108-24-7 ]
  • [ 62119-77-1 ]
YieldReaction ConditionsOperation in experiment
77% Preparation 1 1-(3-Thienyl)propan-2-one Suspend 2-(3-thienyl)acetic acid (26.5 g, 146.5 mmol) in acetic anhydride (87.9 mL, 913 mmol,) and add 1-methylimidazole (7.57 g, 91.3 mmol). Stir the reaction mixture for 4 hours at room temperature under nitrogen. Cool the reaction mixture to 0 C., add water (150 mL), and stir for 1 hour. Dilute the solution with EtOAc (300 mL) and wash successively with 2 M NaOH (2*200 ml), water (200 mL) and brine (200 mL). Separate the organic extracts phase, dry over sodium sulfate, filter, and concentrate to dryness to obtain the title compound (28.16 g, 77%) as a yellow oil. 1H NMR (400.13 MHz, CDCl3) δ 2.14 (s 3H), 3.7 (s, 2H), 6.94 (d, J=5.1 Hz, 1H), 7.08 (bs, 1H), 7.29-7.26 (m, 1H).
  • 2
  • [ 616-47-7 ]
  • [ 6964-21-2 ]
  • [ 62119-77-1 ]
YieldReaction ConditionsOperation in experiment
77% With acetic anhydride; sodium hydroxide; at 20℃; for 4h;Inert atmosphere; Suspend 2-(3-thienyl)acetic acid (26.5 g, 146.5 mmol) in acetic anhydride (87.9 mL, 913 mmol,) and add 1-methylimidazole (7.57 g, 91.3 mmol). Stir the reaction mixture for 4 hours at room temperature under nitrogen. Cool the reaction mixture to 0 C, add water (150 mL), and stir for 1 hour. Dilute the solution with EtOAc (300 mL) and wash successively with 2 M NaOH (2200 ml), water (200 mL) and brine (200 mL). Dry the organic extract over sodium sulfate, filter, and concentrate to dryness to obtain the title compound (28.16 g, 77%) as a yellow oil. 1H NMR (400.13 MHz, CDCl3) δ 2.14 (s 3H), 3.7 (s, 2H), 6.94 (d, J= 5.1Hz, 1H), 7.08 (bs, 1H), 7.29-7.26 (m, 1H).
 

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