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Chemical Structure| 165459-70-1 Chemical Structure| 165459-70-1

Structure of 165459-70-1

Chemical Structure| 165459-70-1

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Product Details of [ 165459-70-1 ]

CAS No. :165459-70-1
Formula : C8H5NO2
M.W : 147.13
SMILES Code : [C-]#[N+]C1=CC=C(OCO2)C2=C1
MDL No. :MFCD06245284

Safety of [ 165459-70-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H315-H319-H331-H335
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 165459-70-1 ]

* 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 [ 165459-70-1 ]

[ 165459-70-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 104-53-0 ]
  • [ 227963-57-7 ]
  • [ 165459-70-1 ]
  • [ 910823-54-0 ]
YieldReaction ConditionsOperation in experiment
72% With acetic acid; In methanol; at 20℃; To a solution of the amine (0.48 g, 1.67 mmol) in MeOH (6.0 mL) was added (2) (0.22 mL, 1.67 mmol), (3) (0.27 g, 1.67 mmol) and AcOH (0.19 mL, 3.35 mmol) at room temperature. The reaction was stirred overnight. When LCMS had shown the full depletion of the starting material amine, 1 M HCI (15 mL) was added till pH ~ 1 before being concentrated in vacuo. NaHCO3 (20 mL) was then added and ethyl acetate (3 x 20 mL) was used to extract the aqueous layer. The combined organic extracts were then washed with brine (2 x 20 mL), before being died in Na2SO4. The mixture was then filtered and concentrated in vacuo. The crude product was purified by flash coloumn chromatography and the product was isolated as a viscous dark brown oil (72%, 0.55 g). EPO <DP n="67"/>3-r3-(Benzori,31dioxol-5-ylamino)-2-phenethyl-imidazori,2-alpyridin-6-vn-acrylic acid ethyl esterRf = 0.33 [Hexane : ethyl acetate (1 :1)]HPLC: 100 %; tR = 3.057 min; LCMS (ESI) Calcd for C27H25N3O4 [M+]: 455.1845, found 456.16 [MH]+; 1H NMR (400 MHz, CDCI3): δ 7.79 (s, 1 H), 7.54 (s, 1 H), 7.51 (d, J = 7.21 Hz1 1 H), 7.37 (d, J = 9.38 Hz, 1 H), 7.26 - 7.21 (m, 2H), 7.08 (dd, J = 1.85, 7.85 Hz, 2H), 6.57 (d, J = 8.28 Hz, 1 H), 6.35 (d, J = 15.87 HZ, 1 H), 5.89 (d, J = 2.31 Hz, 1 H), 5.85 (s, 2H), 5.74 (dd, J = 2.36, 8.29 Hz, 1H), 4.60 (brs, 1H), 4.23 (q, J = 7.12 Hz, 2H), 3.02 - 2.97 (m, 4H), 1.31 (t, J = 7.12 Hz, 3H); 13C NMR (100.5 MHz, CDCI3): δ 166.6, 148.6, 142.3, 142.2, 141.7, 141.1 , 140.7, 140.2, 128.7, 128.3, 126.0, 124.2, 121.5, 120.8, 120.1 , 118.2, 117.5, 108.7, 104.8, 100.9, 95.9, 60.6, 35.4, 29.5, 14.3.
 

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