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Type HazMat fee for 500 gram (Estimated)
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Limited Quantity USD 15-60
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Chemical Structure| 6258-66-8 Chemical Structure| 6258-66-8

Structure of 6258-66-8

Chemical Structure| 6258-66-8

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Product Details of [ 6258-66-8 ]

CAS No. :6258-66-8
Formula : C7H7ClS
M.W : 158.65
SMILES Code : SCC1=CC=C(Cl)C=C1
MDL No. :MFCD00004870
InChI Key :GKQXPTHQTXCXEV-UHFFFAOYSA-N
Pubchem ID :80409

Safety of [ 6258-66-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301+H311+H331-H315-H319
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 6258-66-8 ]

* 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 [ 6258-66-8 ]

[ 6258-66-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 53234-56-3 ]
  • [ 6258-66-8 ]
  • [ 1198296-57-9 ]
YieldReaction ConditionsOperation in experiment
82% Step 2Synthesis of 6-(4-chlorobenzylthio)-5-cyanopicolinic acid (52)A mixture of <strong>[53234-56-3]6-chloro-5-cyanopicolinic acid</strong> (30 mg, 0.16 mmol), 4-chlorophenyl methanethiol (24 ul, 0.18 mmol), and CsCO3 (156 mg, 0.48 mmol) in dimethylformamide (2 ml) was heated for 16 hrs at 45 0 C. After removal of the solvent, the residue was treated with water (2 ml) and acidified with IN-HCl to pH2. The precipitate was collected by filtration and dried under vacuum to afford 40 mg (82%) of the desired product 52. 1H NMR (600MHz, DMSO-d^) delta 13.6 (br s, IH), 8.46 (d, IH, J=7.8 Hz), 8.15 (d, IH, J=7.8 Hz), 7.55 (d, 2H, J=9 Hz), 7.47 (d, 2H, J= 9Hz). MS: m/z Calcd 304.8 Found MH+ 305.0
  • 2
  • [ 1813-33-8 ]
  • [ 6258-66-8 ]
  • C15H9ClF3NS [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 18-crown-6 ether; potassium carbonate; In acetonitrile; for 12h;Reflux; General procedure: A mixture of 2-chloro-4-(trifluoromethyl)-benzonitrile (1.00 mmol) and appropriate thiol (RSH, 3.00 mmol),18-crown-6-ether (cat.) and potassium carbonate (2.00 mmol)were dissolved in acetonitrile (3 ml). The mixture was refluxedfor 12 h and then cooled to ambient temperature. The mixturewas quenched by adding water and extracted with EtOAc.Extracted organic compound was dried over MgSO4, filtered, andconcentrated in vacuo. The residue was purified by flash columnchromatography on silica gel using EtOAc/hexane (1:4) eluantcondition. (RSH = CH3CO2(CH2)2SH for 42).
 

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