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[ CAS No. 110046-60-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
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Inaccessible (Haz class 6.1), Domestic USD 80+
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Chemical Structure| 110046-60-1
Chemical Structure| 110046-60-1
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Quality Control of [ 110046-60-1 ]

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Product Details of [ 110046-60-1 ]

CAS No. :110046-60-1 MDL No. :MFCD01321134
Formula : C9H5BrOS2 Boiling Point : -
Linear Structure Formula :- InChI Key :NTHMTYNJFSUBMF-UHFFFAOYSA-N
M.W : 273.17 Pubchem ID :11065610
Synonyms :

Safety of [ 110046-60-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 110046-60-1 ]

* 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 [ 110046-60-1 ]

[ 110046-60-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 4805-22-5 ]
  • [ 33513-42-7 ]
  • [ 110046-60-1 ]
YieldReaction ConditionsOperation in experiment
76% Under nitrogen, 250 mL of SchlenkThe flask was charged with compound 19 (3.24 g, 10 mmol) and anhydrous tetrahydrofuran(1.4 mL, 2.4 M) was slowly added dropwise to the solution at -78 C, and the reaction was continued at -78 C with stirring Hour, then anhydrous N, N-dimethylformamide (0.88 g, 12. Ommol) was added and the reaction was continued for 1 hour at the temperature maintained. The system was allowed to stir at room temperature overnight. The reaction mixture was quenched with dilute hydrochloric acid and extracted with petroleum ether. The combined organic phases were washed with brine and water, dried over anhydrous sodium sulfate, filtered and the organic solvent was removed by rotary evaporation. The crude product was subjected to silica gel column chromatography using petroleum ether: chloroform (V: V = 5: 1) as eluant to give pale yellow solid 20 (3.02 g, 76% yield).
60% Compound 2 (5.0 g, 15.43 mmol) was dissolved in 200 ml THF in a well-dried flask under the protection of N2 flow. n-BuLi (6.8 ml, 16.98 mmol, 2.5 M in hexane) was added dropwise by syringe under -78 C. After addition, the reaction mixture was stirred at -78 C for 2 h and DMF (1.43 ml, 18.52 mmol) was added dropwise, then the mixture was warmed to room temperature. After stirring for 12 h, the mixture was poured into water and extracted with dichloromethane. The organic layer was washed with brine and dried over Na2SO4. After solvent removal, the residue was purified by column chromatography on silica gel using petroleum/CH2Cl2 5:1 as eluant to afford Compound 3 (2.53 g, 60%) as a yellow solid. GC/MS: 273 (M+). 1H NMR (400 MHz, CDCl3): δ(ppm) 9.87 (s, 1H), 7.67-7.66 (d, J = 4.0 Hz, 1H), 7.19-7.18 (d, J = 3.8 Hz, 1H), 7.11-7.10 (d, J = 3.8 Hz, 1H), 7.04-7.03 (d, J = 4.0 Hz, 1H).
  • 2
  • [ 110046-60-1 ]
  • [ 13361-34-7 ]
  • C20H22BrNO2S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% With triethylamine; In chloroform; at 20℃; for 12h; Take compound 20 (1.66g, 6.1mmol) and isooctyl cyanoacetate (5.99g, 30.5mmol) in anhydrous chloroform (50mL), was added a small amount of triethylamine (0.1mL), and then for 12 hours at room temperature, the reaction after washing with water, dried, filtered and the solvent was removed by rotary evaporation with petroleum ether to silica gel column chromatography eluent, to give an orange-yellow solid 21 (2.32g, 84%).
  • 3
  • [ 110046-60-1 ]
  • [ 13361-34-7 ]
  • C46H48N2O6S5 [ No CAS ]
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