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Chemical Structure| 79074-45-6 Chemical Structure| 79074-45-6

Structure of 79074-45-6

Chemical Structure| 79074-45-6

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Product Details of [ 79074-45-6 ]

CAS No. :79074-45-6
Formula : C8H11BrN2
M.W : 215.09
SMILES Code : CC1=NC(C)=C(CBr)N=C1C
MDL No. :MFCD11215620

Safety of [ 79074-45-6 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P261-P280-P305+P351+P338-P310
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 79074-45-6 ]

* 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 [ 79074-45-6 ]

[ 79074-45-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 617-05-0 ]
  • [ 79074-45-6 ]
  • [ 947243-87-0 ]
  • 2
  • [ 23028-17-3 ]
  • [ 79074-45-6 ]
  • [ 1339946-94-9 ]
YieldReaction ConditionsOperation in experiment
65.4% With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 0 - 20℃;Inert atmosphere; Danshensu (100 mg, 0.505 mmol) was weighed and placed in a 25 mL single-neck flask, about 2 mL of dried DMF was added dropwise to dissolve the compound, and then NaHC03 (50 mg, 0.595 mmol) was added. The content of the flask was stirred to reach uniformity at room temperature, and the temperature was brought down to 0C with an ice bath. Under the N2 atmosphere, 2-bromoethyl-3,5,6-trimethyl-pyrazine (110 mg, 0.514 mmol) was added, and the reaction was allowed to run at room temperature for 17 hours and monitored by TLC. After the starting materials were consumed, the reaction was diluted with iced brine and ethyl acetate, extracted three times with ethyl acetate (25 mLx3). The ethyl acetate layer was washed three times with iced brine to remove DMF from the organic phase. The organic phase was then dried over anhydrous Na2S04j spun to dryness, separated on a silica get column (ethyl acetate : petroleum ether = 1 :2) to give the target compound (108 mg, yield 65.4%) as a white solid. 1H-NMR (DMSO-t/6,400 MHz) delta: 2.39 (s, 3 H, CH3), 2.42 (s, 3 H, CH3), 2.44 (s, 3 H, CH3), 2.66 (dd, J= 8.0, 13.8 Hz, 1 H, CH2), 2.80 (dd, J= 5.2, 13.8 Hz, 1 H, CH2), 4.18 (dd, J= 6.0, 13.0 Hz, 1 H, CH), 5.14 (s, 2 H, CH2), 6.40 (dd, J= 2.4, 8.0 Hz, 1 H, arom.), 6.56 (d, J= 8.0 Hz, 1 H, arom.), 6.59 (d, J= 2.4 Hz, 1 H, arom.); MS (ESI) [M+Na]+ 356.1. FABHRMS: calcd for (Ci7H2oN205) 332.13722, found 332.13684. Anal. (Ci7H20N2O5) C, H, N.
 

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