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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 52634-59-0 Chemical Structure| 52634-59-0

Structure of 52634-59-0

Chemical Structure| 52634-59-0

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Product Details of [ 52634-59-0 ]

CAS No. :52634-59-0
Formula : C10H11NO2
M.W : 177.20
SMILES Code : COC1=CC=C(C=C1)CCN=C=O
MDL No. :MFCD04974077

Safety of [ 52634-59-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H315-H319-H331-H334-H335
Precautionary Statements:P261-P280-P305+P351+P338
Class:6.1
UN#:2206
Packing Group:

Application In Synthesis of [ 52634-59-0 ]

* 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 [ 52634-59-0 ]

[ 52634-59-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 52634-59-0 ]
  • [ 7579-20-6 ]
  • [ 1357082-27-9 ]
YieldReaction ConditionsOperation in experiment
21% With triethylamine; In acetonitrile; at 145℃; for 0.75h;Microwave irradiation; Sealed vial; A mixture of 3-aminoisonicotinic acid (200 mg, 0.93 mmol), 1-(2-isocyanatoethyl)-4-methoxybenzene (213 mg, 1.20 mmol) and triethylamine (8 mg, 0.08 mmol) in acetonitrile (3 mL) was heated under microwave irradiation (45 min, 145 °C). After cooling down the reaction in an ice/salt bath, a white precipitate was formed. The solid was filtered, washed with diethylether and dried, affording 11 as a pure product (yield 21percent). Mp 238 °C; 1H NMR (300 MHz, DMSO-d6) delta (ppm): 8.58 (s, 1H), 8.39 (d, J = 7.1 Hz, 1H), 7.78 (d, J = 7.1 Hz, 1H), 7.13 (d, J = 8.9 Hz, 2H), 6.81 (d, J = 8.9 Hz, 2H), 4.04 (m, 2H, N-CH2-CH2), 3.75 (s, 3H, MeO), 2.81 (m, 2H, CH2-Ar); 13C NMR (125 MHz, DMSO-d6) delta (ppm): 161.5, 158.3, 150.2, 143.2, 138.9, 135.1, 132.0, 130.0, 119.8, 119.5, 114.3, 55.4, 42.2, 41.6; ESI MS (m/z): 298 [M + H]+, purity >99percent (by HPLC); Anal. C16H15N3O3 (C, H, N, O).
 

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