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Chemical Structure| 49548-40-5 Chemical Structure| 49548-40-5

Structure of 49548-40-5

Chemical Structure| 49548-40-5

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Product Details of [ 49548-40-5 ]

CAS No. :49548-40-5
Formula : C10H12N2O2S
M.W : 224.28
SMILES Code : S=C(N)CNC(OCC1=CC=CC=C1)=O
MDL No. :MFCD03452777

Safety of [ 49548-40-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 49548-40-5 ]

* 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 [ 49548-40-5 ]

[ 49548-40-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 49548-40-5 ]
  • [ 33142-21-1 ]
  • [ 1095823-35-0 ]
YieldReaction ConditionsOperation in experiment
19% In N,N-dimethyl-formamide; at 50℃; for 72h; Synthesis of Compound A.4. To a solution of aldehyde A.3 (54 g, 0.36 mol) in anhydrous DMF (42 mL), was added a solution of compound A.2 (40.3 g, 0.18 mol) in anhydrous DMF (320 mL). The reaction was heated at 50 C. for 3 days. The mixture was cooled to 0 C., and Et2O (390 mL) followed by sat. NaHCO3 solution (200 mL) were added slowly. After separation of the phases, the aqueous layer was extracted with Et2O (2×300 mL). The combined organic extracts were washed with sat. NaHCO3 (3×500 mL), dried (Na2SO4) and concentrated under reduced pressure to give crude material as thick brown oil, which was purified by column chromatography (EtOAc/hexanes) to give compound A.4 as a brown solid (22 g, 19%). 1H NMR: (CDCl3, 200 MHz) delta: 8.3 (s, 1H), 7.4 (s, 5H), 5.6 (brs, 1H), 5.2 (s, 2H), 4.7 (d, 2H, J=5 Hz), 4.4 (m, 2H), 1.4 (m, 3H); MS: m/z 320.9 [M+1]+.
19% To a solution of aldehyde A.3 (54 g, 0.36 mol) in anhydrous DMF (42 mL), was added a solution of compound A.2 (40.3 g, 0.18 mol) in anhydrous DMF (320 mL). The reaction was heated at 50 C. for 3 days. The mixture was cooled to 0 C., and Et2O (390 mL) followed by sat. NaHCO3 solution (200 mL) were added slowly. After separation of the phases, the aqueous layer was extracted with Et2O (2×300 mL). The combined organic extracts were washed with sat. NaHCO3 (3×500 mL), dried (Na2SO4) and concentrated under reduced pressure to give crude material as thick brown oil, which was purified by column chromatography (EtOAc/hexanes) to give compound A.4 as a brown solid (22 g, 19%). 1H NMR: (CDCl3, 200 MHz) delta: 8.3 (s, 1 H), 7.4 (s, 5 H), 5.6 (brs, 1 H), 5.2 (s, 2H), 4.7 (d, 2 H, J=5 Hz), 4.4 (m, 2 H), 1.4 (m, 3 H); LCMS: m/z 320.9 [M+1]+.
  • 2
  • [ 1219813-78-1 ]
  • [ 49548-40-5 ]
  • tert-butyl 3-[2-(benzyloxycarbonylaminomethyl)thiazol-4-yl]piperidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With potassium carbonate; In ethanol; at 20.0℃; K2CO3 (228 mg, 1.65 mmol) was added to a solution of <strong>[1219813-78-1]tert-butyl 3-(2-bromoacetyl)piperidine-1-carboxylate</strong> (500 mg, 1.63 mmol) and N-benzyloxycarbonylglycine thioamide (366 mg, 1.63 mmol) in EtOH (8 mL) at room temperature. The reaction mixture was stirred at room temperature overnight and evaporated. The residue was dissolved in DCM (10 mL), washed with water (10 mL) and saline (10 mL), dried and evaporated. The crude product was purified by chromatography on silica eluting with 0-100% EtOAc in hexane affording a yellow gum (558 mg, 79%). M/z 454 (M+Na)+.
  • 3
  • [ 1219813-78-1 ]
  • [ 49548-40-5 ]
  • C2HF3O2*C17H21N3O2S [ No CAS ]
 

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