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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 102422-56-0 Chemical Structure| 102422-56-0

Structure of 102422-56-0

Chemical Structure| 102422-56-0

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Product Details of [ 102422-56-0 ]

CAS No. :102422-56-0
Formula : C8H6FNO
M.W : 151.14
SMILES Code : FC1=CC(CN=C=O)=CC=C1
MDL No. :MFCD02093692

Safety of [ 102422-56-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H317-H319-H334-H335
Precautionary Statements:P261-P280-P305+P351+P338-P342+P311
Class:6.1(3)
UN#:3080
Packing Group:

Application In Synthesis of [ 102422-56-0 ]

* 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 [ 102422-56-0 ]

[ 102422-56-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 102422-56-0 ]
  • [ 110-86-1 ]
  • [ 63746-12-3 ]
YieldReaction ConditionsOperation in experiment
In water; Step 1 Methyl 3-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylate 5.5 g (26.3 mmol) of compound of the Preparation A and 50 ml of pyridine are introduced into a round-bottomed flask. 5.0 g (33.1 mmol) of 3-fluorobenzyl isocyanate are added. The mixture is maintained at reflux for 6 hours and 0.8 g (5.3 mmol) of 3-fluorobenzyl isocyanate is added in one portion. The mixture is heated overnight at reflux. The mixture is cooled and the product is precipitated with the addition of water and filtered.
  • 2
  • [ 30235-28-0 ]
  • [ 102422-56-0 ]
  • [ 1342276-92-9 ]
YieldReaction ConditionsOperation in experiment
5% In 1-methyl-pyrrolidin-2-one; at 150℃; for 0.333333h;Biotage microwave; COMPOUND lajl-(3-Fluorobenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea. This was prepared from 3a (0.105 g, 0.593 mmol) and 3-fiuorobenzyl isocyanate (0.179 g, 1.18 mmol) in the same manner as described for laa. Chromatography on silica gel performed using theFlashMaster 3 purification station afforded laj as an off white solid (0.019 g, 0.030 mmol, 5%). 1H NMR (400 MHz, DMSO-d6) delta 10.90 (s, 1H, disappeared on D20 shake), 8.57 (d, J = 6.1 Hz, 2H,), 7.82 (s, 1H), 7.78 (d, J= 6.1 Hz, 2H,), 7.39-7.34 (m, 1H), 7.149-7.04 (m, 4H), 4.36 (d, J= 6.0 Hz, 2H); 13C NMR (100 MHz, DMSO-d6) delta 162.90 (d, J= 241.9 Hz, C-F), 160.98, 154.72, 150.85, 146.81 , 143.39 (d, J= 7.0 Hz, C), 141.70, 131.02 (d, J= 8.25 Hz, CH), 123.74 (d, J= 2.67 Hz, CH), 120.49, 1 14.48 (d, J= 1 1.8 Hz, CH), 1 14.26 (d, J = 1 1.15 Hz, CH), 1 1 1.79, 43.10 (d, J = 1.4 Hz, CH2); HPLC purity 99.27% {tR = 6.400 min, Flow lml/min, [(CH3CN/(0.1% TFA in H2O):30/70] ; purity 99.1 1% {tR = 7.133 min, Flow lml/min, [(MeOH/(0.1% TFA in H2O):50/50] ; HRMS (ESI +ve) m/z calculated for Ci6Hi4FN4OS (M + H)+ 329.0866, found 329.0870
 

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