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Chemical Structure| 256935-85-0 Chemical Structure| 256935-85-0

Structure of 256935-85-0

Chemical Structure| 256935-85-0

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Product Details of [ 256935-85-0 ]

CAS No. :256935-85-0
Formula : C8H7ClINO2
M.W : 311.50
SMILES Code : O=C(OC)C1=CC(I)=C(N)C=C1Cl
MDL No. :MFCD09260863
Boiling Point : No data available
InChI Key :ACKIVQFMUDRNPN-UHFFFAOYSA-N
Pubchem ID :11839203

Safety of [ 256935-85-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 256935-85-0 ]

* 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 [ 256935-85-0 ]

[ 256935-85-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 256935-85-0 ]
  • [ 5799-75-7 ]
  • methyl 4-amino-2-chloro-5-(3-piperidin-1-yl-prop-1-ynyl)benzoate [ No CAS ]
  • 2
  • [ 256935-85-0 ]
  • catechol borane [ No CAS ]
  • [ 927-80-0 ]
  • [ 162100-83-6 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium hydroxide;tetrakis(triphenylphosphine)palladium (0); In tetrahydrofuran; ethyl acetate; EXAMPLE 58B methyl 6-chloro-5-indolecarboxylate A 50% solution of ethyl ethynyl ether in hexanes (2.1 mL, 10.8 mmol) at 0 C. was slowly treated with 1M catechol borane in THF (9.7 mL, 9.7 mmol), warmed to room temperature, stirred for 2 hours, heated at 70 C. for 2 hours, cooled to room temperature, treated sequentially with Example 58A (1.77 g, 5.69 mmol) in THF (30 mL), tetrakis(triphenylphosphine)-palladium(0) (329 mg, 0.28 mmol), and powdered sodium hydroxide (683 mg, 17.1 mmol), heated to reflux, stirred for 18 hours, cooled to room temperature, treated with 2M HCl (30 mL), stirred for 18 hours, treated with ethyl acetate, washed sequentially with water, 2M Na2CO3, and brine, dried (MgSO4), filtered, and concentrated. The concentrate was purified by flash column chromatography on silica gel to provide the impure desired product which was used in the next step without further purification.
  • 3
  • [ 256935-85-0 ]
  • [ 162100-83-6 ]
 

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