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Chemical Structure| 15901-51-6 Chemical Structure| 15901-51-6

Structure of 15901-51-6

Chemical Structure| 15901-51-6

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Product Details of [ 15901-51-6 ]

CAS No. :15901-51-6
Formula : C7H9NO2S
M.W : 171.22
SMILES Code : CCOC(=O)C1=CSN=C1C
MDL No. :MFCD08445685
InChI Key :JZUYUZCELBUBSC-UHFFFAOYSA-N
Pubchem ID :12371906

Safety of [ 15901-51-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 15901-51-6 ]

* 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 [ 15901-51-6 ]

[ 15901-51-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 15903-66-9 ]
  • [ 15901-51-6 ]
  • 2
  • [ 15901-51-6 ]
  • [ 15903-66-9 ]
YieldReaction ConditionsOperation in experiment
79% To a solution of 3-methyl-isothiazole-4-carboxylic acid ethyl ester (method 32) (23.3 g, 136 mmol) in THF (200 mL) aqueous NaOH (6.5 g, 162 mmol, in 100 ml of water) was added and the mixture was stirred at room temperature for 16 h. The TLC of the reaction mixture showed the complete disappearance of the starting material. The reaction mixture was cooled in an ice bath and acidified to pH 5 using 6M HCl and the resultant mixture was extracted with ether (3*100 mL). The ether layers were combined, washed with water (100 mL), brine (100 mL), dried (Na2SO4) and concentrated to about 10 mL. Addition of hexanes to the above mixture resulted in the precipitation of the product, which was filtered off, washed with hexanes and dried to provide the pure product as a tan powder. Yield 15.3 g (79%). Having the following properties: 1H NMR (300 MHz) δ 2.39 (s, 3H), 8.98 (s, 1H).
 

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Related Functional Groups of
[ 15901-51-6 ]

Esters

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Related Parent Nucleus of
[ 15901-51-6 ]

Isothiazoles

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A619276 [15903-66-9]

3-Methylisothiazole-4-carboxylic acid

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Ethyl 5-amino-3-methylisothiazole-4-carboxylate

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