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Chemical Structure| 36778-15-1 Chemical Structure| 36778-15-1

Structure of 36778-15-1

Chemical Structure| 36778-15-1

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Product Details of [ 36778-15-1 ]

CAS No. :36778-15-1
Formula : C4H2N2O4S
M.W : 174.13
SMILES Code : O=C(C1=NSC([N+]([O-])=O)=C1)O
MDL No. :MFCD11042296
InChI Key :VYNSNKZEWKFVJN-UHFFFAOYSA-N
Pubchem ID :22019223

Safety of [ 36778-15-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 36778-15-1 ]

* 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 [ 36778-15-1 ]

[ 36778-15-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 57478-19-0 ]
  • [ 36778-15-1 ]
  • [ 481687-38-1 ]
YieldReaction ConditionsOperation in experiment
1.2g (63%yield) With thionyl chloride; triethylamine; In diethyl ether; dichloromethane; 5-Nitro-N-para-[4-(trifluoromethyl)phenoxy]phenyl-isothiazole-3-carboxamide (58) To 0.8g (4.6mmol) of 5-nitro-isothiazole-3-carboxylic acid (prepared according to the method described in R. J. A. Walsh, K. R. H. Woolbridge, J. Chem. Soc. Perkin Trans 1, 1972,1247-1249) is added 14 ml of thionyl chloride under nitrogen, and the resulting mixture is stirred at reflux for 3 hours. After cooling, the solvent is evaporated to give a solid. This solid is suspended in a mixture of 20ml of diethyl ether and 20ml of dichloromethane. The suspension is added to a mixture of 2.74g (10.8mmol) of 4-[4-(trifluoromethyl) phenoxy] aniline and 2.5ml (18.3mmol) of triethylamine in 40ml of diethyl ether. The resulting mixture is stirred at room temperature for 4 hours and left to stand at room temperature overnight. The resulting suspension is filtered, the filtrate is washed with a saturated sodium chloride solution, then dried and concentrated to give a brown solid which is chromatographed (ethyl acetate/heptane) to give 1.2g (63%yield) of an orange solid (M+1 =410).
 

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Related Functional Groups of
[ 36778-15-1 ]

Carboxylic Acids

Chemical Structure| 1416374-24-7

A264924 [1416374-24-7]

5-Aminoisothiazole-3-carboxylic acid

Similarity: 0.80

Related Parent Nucleus of
[ 36778-15-1 ]

Isothiazoles

Chemical Structure| 1416374-24-7

A264924 [1416374-24-7]

5-Aminoisothiazole-3-carboxylic acid

Similarity: 0.80