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Chemical Structure| 21320-90-1 Chemical Structure| 21320-90-1

Structure of 21320-90-1

Chemical Structure| 21320-90-1

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Product Details of [ 21320-90-1 ]

CAS No. :21320-90-1
Formula : C7H6ClNO4S
M.W : 235.64
SMILES Code : O=S(C1=CC=C([N+]([O-])=O)C=C1C)(Cl)=O
MDL No. :MFCD09050619
InChI Key :WREICNIHNBOUJV-UHFFFAOYSA-N
Pubchem ID :88869

Safety of [ 21320-90-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 21320-90-1 ]

* 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 [ 21320-90-1 ]

[ 21320-90-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 21320-90-1 ]
  • [ 939-69-5 ]
  • 2-cyanobenzothiazol-6-yl 2-methyl-4-nitrobenzenesulfonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With triethylamine; In dichloromethane; at 20℃; for 3h; To the solution of benzene sulfonyl chloride derivative (0.7 g, 2.98 mmol) and 2-cyano-6-hydroxoylbenzothiazole or 2-cyano-6-hydroxyquinoline (2.84 mmol) in 10 ml of dry methylene chloride, triethylamine (0.58 g, 5.68 mmol) at room temperature was added, and the resultant mixture stirred for 3 hours. The product was purified by flash chromatography using heptane/methylene chloride (1/2) as eluent. (yield 85percent): 1H NMR (CDCl3) delta(ppm): 8.30 (d, J= 2.0 Hz, 1H), 8.16 (d, J= 9.3 Hz, 1H), 8.13 (dd, J = 8.7 Hz, J= 2.0 Hz, 1H), 8.04 (d, J = 8.7 Hz, 1H), 7.78 (d, J = 2.4 Hz, 1H), 7.27 (dd, J = 9.0 Hz, J = 2.4 Hz, 1H), 2.95 (s, 3H, CH3). MS (ES) m/e (M+1): 376.
 

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