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Chemical Structure| 58249-25-5 Chemical Structure| 58249-25-5

Structure of 58249-25-5

Chemical Structure| 58249-25-5

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Product Details of [ 58249-25-5 ]

CAS No. :58249-25-5
Formula : C7H4NNaOS
M.W : 173.17
SMILES Code : O=C1[N-]SC2=C1C=CC=C2.[Na+]
MDL No. :MFCD21363105

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Application In Synthesis of [ 58249-25-5 ]

* 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.

  • Upstream synthesis route of [ 58249-25-5 ]

[ 58249-25-5 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 109-65-9 ]
  • [ 58249-25-5 ]
  • [ 4299-07-4 ]
YieldReaction ConditionsOperation in experiment
97% at 50℃; for 5 h; The lithium salt of 1,2-benzisothiazolin-3-one prepared in Example 2 (150 g, 0.95 mol) and DMF (450 ml) were mixedTogether,N-butyl chloride was added dropwise at room temperature(96.7 g, 1.05 mol),Drop finished,The temperature was raised to 50 ° C for 5 hours,Reaction is completed,Down to room temperature,The reaction solution was poured into 2.2 L of water,Ethyl acetate extract product,The organic phase was recovered under reduced pressure to give a mixture of 2-Butyl-1,2-benzisothiazolin-3-one and 3-butoxy-1,2-benzisothiazoline,Yield 93percent. Main productionProportion of product and by - product: 79: 21.The resulting mixture was dissolved in ethyl acetate (450 ml)Down to 0 ° C,A solution of concentrated sulfuric acid (34.2 g, 0.35 mol)The mixture was stirred for 3 hours, filtered and dried to give 155.5 g of a white solid.Relative to the main product yield of 87percent.The resulting solid was added to 10percent sodium hydroxide solution (466 ml)Then add toluene 200ml * 3 extraction, organic phase recoverySolvent to give pale yellow oil 121 g 2-Butyl-1,2-benzisothiazolin-3-one,Yield 96.5percent. The purity of the product 2-butyl-1,2-benzisothiazolin-3-one is greater than 98percent.
References: [1] Patent: CN107098870, 2017, A, . Location in patent: Paragraph 0066-0069.
  • 2
  • [ 109-65-9 ]
  • [ 58249-25-5 ]
  • [ 40991-40-0 ]
  • [ 4299-07-4 ]
References: [1] Patent: US8884024, 2014, B1, . Location in patent: Paragraph 0026; 0027.
 

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