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Chemical Structure| 708257-15-2 Chemical Structure| 708257-15-2

Structure of 708257-15-2

Chemical Structure| 708257-15-2

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Product Details of [ 708257-15-2 ]

CAS No. :708257-15-2
Formula : C4H9NO2S
M.W : 135.18
SMILES Code : N=S1(CCOCC1)=O
MDL No. :MFCD09878506
InChI Key :UGKYIHYYWHSBPK-UHFFFAOYSA-N
Pubchem ID :55266316

Safety of [ 708257-15-2 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 708257-15-2 ]

* 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 [ 708257-15-2 ]

[ 708257-15-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 708257-15-2 ]
  • [ 543740-89-2 ]
  • 6-amino-5-iodo-N-(4-oxido-1,4λ6-oxathian-4-ylidene)nicotinamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60℃; for 20h; Preparation 5 6-amino-5-iodo-N-(4-oxido-1,4λ4-oxathian-4-ylidene)nicotinamide To a solution of 1,4-oxathiane (510 mg, 3.21 mmol, 1.05 eq) in anhydrous DMF (8 mL) was added <strong>[543740-89-2]6-amino-5-iodonicotinic acid</strong> (806 mg, 1.0 eq), diisopropylethylamine (1.1 mL, 2 eq), and BOP (1.484 g, 1.1 eq). The reaction mixture was heated at 60 C. for 20 hours and then partitioned between EtOAc and aq NH4Cl. The organic layer was separated, washed further with saturated aq NaHCO3 (1*), brine (1*), and dried with anhydrous Na2SO4 overnight. The upper solution layer was decanted, concentrated, and the brown oily reside was subject to column chromatography (EtOAc-Hex 1:5 to 3:1). Concentration of the product eluting fractions gave the title compound as white solid (889 mg, 77%). 1H NMR (DMSO-d6) δ: 8.57 (d, J=2.1 Hz, 1H), 8.35 (d, J=2.1 Hz, 1H), 6.78 (br. s., 2H), 4.10-4.15 (m, 2H), 3.91 (ddd, J=12.6, 8.5, 2.1 Hz, 2H), 3.79-3.84 (m, 2H), 3.55-3.60 (m, 2H)
 

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