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Chemical Structure| 1195771-65-3 Chemical Structure| 1195771-65-3

Structure of 1195771-65-3

Chemical Structure| 1195771-65-3

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Product Details of [ 1195771-65-3 ]

CAS No. :1195771-65-3
Formula : C13H16N2O4S3
M.W : 360.47
SMILES Code : CC(SC(SCC)=S)(C#N)CCC(ON1C(CCC1=O)=O)=O
MDL No. :MFCD26406207
InChI Key :YNKNGAHVZJLFGL-UHFFFAOYSA-N
Pubchem ID :58283675

Safety of [ 1195771-65-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1195771-65-3 ]

* 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 [ 1195771-65-3 ]

[ 1195771-65-3 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 6066-82-6 ]
  • [ 1137725-46-2 ]
  • [ 1195771-65-3 ]
YieldReaction ConditionsOperation in experiment
79% With dicyclohexyl-carbodiimide; In chloroform; at 0 - 20℃; for 23h; To a solution of CEPA (1.00 g, 3.79 mmol) in CHCl3 (20 mL) at 0 C were added NHS (524 mg, 4.55 mmol) and DCC (940 mg, 4.55 mmol). The reaction mixture was stirred at 0 C for 1 h and then at room temperature for 22 hrs. The by-product, dicyclohexylurea (DCU) was filtered off and the filtrate was concentrated in vacuo. The crude product was purified by flash column chromatography using ethyl acetate and hexane (3: 1 to 1: 1) as the eluents, and the resulting product NHS-CEPA was obtained (1.08 g, 79.0%) as a yellow powder. 1H-NMR (400 MHz, CDCl3, ppm):delta= 3.36 (2H, q, J= 8.0 Hz, -CH2-S), 2.97-2.90 (2H, m, -CH2-), 2.85 (4H, s, -CH2-CH2-), 2.71-2.48 (2H, m, -CH2-), 1.89 (3H, s, -CH3), 1.38 (3H, t, J= 8.0 Hz, -CH3).
  • 2
  • [ 83578-21-6 ]
  • [ 1195771-65-3 ]
  • [ 1195771-66-4 ]
  • 3
  • [ 1195771-65-3 ]
  • [ 2450-71-7 ]
  • [ 1371547-96-4 ]
  • 4
  • [ 1195771-65-3 ]
  • [ 80-62-6 ]
  • C138H216N2O54S3 [ No CAS ]
 

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