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Chemical Structure| 29198-41-2 Chemical Structure| 29198-41-2

Structure of 29198-41-2

Chemical Structure| 29198-41-2

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Product Details of [ 29198-41-2 ]

CAS No. :29198-41-2
Formula : C8H9ClN2S
M.W : 200.69
SMILES Code : NCC1=NC2=CC=CC=C2S1.[H]Cl
MDL No. :MFCD03783535
InChI Key :WCZDQDCFSDCIIC-UHFFFAOYSA-N
Pubchem ID :2776261

Safety of [ 29198-41-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 29198-41-2 ]

* 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 [ 29198-41-2 ]

[ 29198-41-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 57595-23-0 ]
  • [ 29198-41-2 ]
  • [ 1186090-97-0 ]
YieldReaction ConditionsOperation in experiment
With triethylamine;acetic acid; In ethanol; for 6h;Reflux; To a solution of metliyl-4-oxo-tetrahydrofuro-3-carboxylate (1.18 g, 8,19 mmol) in ethanol (5 mL), l-(l,3-benzothiazol-2~yl)methanamine hydrochloride (1.73 g, 8.60 ramol), triethylamine (1.20 mL, 8.60 mmol) and acetic acid (47 muL, 0.819 mmol) were added and the reaction mixture was heated to reflux for 6 hr, cooled to ambient temperature and concentrated in vacuo. The resultant residue was partitioned between EtOAc (10 mL) and H2O (5 mL) and the organic layer was washed with KHSO4 (1 X 5 mL), NaHCO3 (1 X 5 mL) brine (1 X 5 mL), dried over MgSO4, filtered and concentrated in vacuo. Purification by flash chromatography 10,15% EtOAc/hexanes on SiO2 (40 S+ column) afforded 610 mg of an orange foam: * H NMR (500 MHz, CDCl3) delta 3.73 (s, 3 H), 4.67 (d, 2 H, J- 6.8 Hz), 4.80 (s, 4 H), 7.40 (t, 1 H, J= 7.5Hz), 7.50 (I, 1 H, J= 12 Hz), 7.87 (d, 1 H, J= 8.0 Hz), 7.99 (d, 1 H, J= 8.2 Hz).
 

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