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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
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Inaccessible (Haz class 6.1), Domestic USD 80+
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Chemical Structure| 14649-03-7 Chemical Structure| 14649-03-7
Chemical Structure| 14649-03-7

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CAS No.: 14649-03-7

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Product Details of [ 14649-03-7 ]

CAS No. :14649-03-7
Formula : C9H9NO
M.W : 147.17
SMILES Code : C[C@@H](C1=CC=CC=C1)N=C=O
MDL No. :MFCD00002036
InChI Key :JJSCUXAFAJEQGB-QMMMGPOBSA-N
Pubchem ID :2724173

Safety of [ 14649-03-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H315-H319-H330-H334-H335
Precautionary Statements:P260-P284-P305+P351+P338-P310
Class:6.1
UN#:2206
Packing Group:Ⅲ

Application In Synthesis of [ 14649-03-7 ]

* 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 [ 14649-03-7 ]

[ 14649-03-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 14649-03-7 ]
  • [ 301225-58-1 ]
  • 4-[3-(1-phenyl-ethyl)-1-propyl-ureido]-piperidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • 2
  • [ 30235-28-0 ]
  • [ 14649-03-7 ]
  • [ 1342276-89-4 ]
YieldReaction ConditionsOperation in experiment
43% In 1-methyl-pyrrolidin-2-one; at 150℃; for 0.333333h;Biotage microwave; COMPOUND lai(S)-l-(l-Phenylethyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea. This was prepared from 3a (0.1 10 g, 0.621 mmol) and (S)-(-)-alpha-methylbenzyl isocyanate (0.182 g, 1.24 mmol) in the same manner as described for laa. Chromatography on silica gel performed twice using the FlashMaster 3 purification station, afforded lai as a white solid (0.87 g, 0.268 mmol, 43%). 1H NMR (400 MHz, DMSO-d6)5 10.52 (s, 1H), 8.57 (d, J= 6.0 Hz,2H), 7.80 (s, 1H), 7.76 (d, J= 6.1 Hz, 2H), 7.37-7.32 (m, 4H), 7.27-7.21 (m, 1H), 7.03 (d, J = 8.3 Hz, 1H), 4.84 (p, J= 6.6 Hz, 1H), 1.41 (d, J= 6.9 Hz, 3H); 13C NMR (100 MHz, DMSO-d6) delta 160.79, 153.71 , 150.85, 146.76, 145.01 , 141.64, 129.14, 127.61 , 126.47, 120.48, 1 1 1.72, 49.71 , 23.54; HPLC purity 99.74% {tR = 7.480 min, Flow lml/min,[(CH3CN/(0.1% TFA in H2O):30/70] ; purity 99.541% {tR = 8.653 min, Flow lml/min, [(MeOH/(0.1% TFA in H2O):50/50] ; HRMS (ESI +ve) m/z calculated for Ci7Hi7N4OS (M + H)+ 3251 1 17, found 325.1 1 16.
 

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