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[ CAS No. 90407-16-2 ]

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Chemical Structure| 90407-16-2
Chemical Structure| 90407-16-2
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Product Details of [ 90407-16-2 ]

CAS No. :90407-16-2 MDL No. :MFCD07377072
Formula : C9H5ClO2S Boiling Point : 408.6°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :212.65 g/mol Pubchem ID :10198242
Synonyms :

Safety of [ 90407-16-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 90407-16-2 ]

  • Upstream synthesis route of [ 90407-16-2 ]
  • Downstream synthetic route of [ 90407-16-2 ]

[ 90407-16-2 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 68-11-1 ]
  • [ 6334-18-5 ]
  • [ 90407-16-2 ]
YieldReaction ConditionsOperation in experiment
82% With potassium hydroxide In diethyl ether at 120℃; for 2 h; First Step
Synthesis of 7-Chloro-1-benzothiophene-2-carboxylic acid
To an aqueous solution (10 mL) of potassium hydroxide (1.3 g, 22 mmol), 2-mercaptoacetic acid (0.70 mL, 10 mmol) and 2,3-dichlorobenzaldehyde (1.8 g, 10 mmol) were added, and the resulting mixture was stirred at 120° C.
Two hours later, the reaction solution was cooled to room temperature, and after adding distilled water until precipitated solid was dissolved, diethyl ether was added thereto.
The reaction solution was separated into an organic layer and water layer, and after adding 1.0 N hydrochloric acid to the water layer until the pH reached 5, the water layer was extracted with ethyl acetate.
The organic layer was washed with brine, dried over anhydrous sodium sulfate and concentrated to obtain the title compound (1.7 g; 82percent) as a colorless liquid.
1H-NMR (400 MHz, DMSO-d6): 7.48-7.54 (1H, m), 7.62-7.70 (1H, m), 7.98-8.04 (1H, m), 8.16-8.22 (1H, m).MS (ESI) [M+H]+213
Reference: [1] Patent: US2014/128606, 2014, A1, . Location in patent: Paragraph 0078; 0079; 0080; 0081; 0082; 0083
  • 2
  • [ 90407-15-1 ]
  • [ 90407-16-2 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
  • 3
  • [ 90407-18-4 ]
  • [ 90407-16-2 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
  • 4
  • [ 608-27-5 ]
  • [ 90407-16-2 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
  • 5
  • [ 6334-18-5 ]
  • [ 90407-16-2 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
  • 6
  • [ 90407-17-3 ]
  • [ 90407-16-2 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390
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