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Structure of 887341-00-6

Chemical Structure| 887341-00-6

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Product Details of [ 887341-00-6 ]

CAS No. :887341-00-6
Formula : C8H12N2O
M.W : 152.19
SMILES Code : O=C([C@H]1[C@](C2)([H])C=C[C@]2([H])[C@H]1N)N

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Application In Synthesis of [ 887341-00-6 ]

* 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 [ 887341-00-6 ]

[ 887341-00-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 876343-24-7 ]
  • [ 887341-00-6 ]
  • (1S,2S,3R,4R)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ No CAS ]
  • [ 1258555-96-2 ]
YieldReaction ConditionsOperation in experiment
Example 62 (1S,2S,3R,4R)-3-[2-[(1-ethyl-1H-pyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxamide The title compound was prepared as described in Example 1, substituting <strong>[876343-24-7]1-ethyl-1H-pyrazol-4-amine</strong> for 1-methyl-1H-pyrazol-4-amine in Example 1B along with substitution of (+)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide for (+/-)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2,4-dichloro-5-(trifluoromethyl)pyrimidine for 2,4-dichloro-5-fluoropyrimidine in Example 1A. 1H NMR (300 MHz, DMSO-D6) ppm 1.28-1.47 (m, 4H) 2.03 (d, J=8.82 Hz, 1H) 2.86 (d, J=13.2 Hz, 2H) 4.08 (q, J=7.1 Hz, 2H) 4.17 (t, J=6.8 Hz, 1H) 6.28 (dd, J=5.6, 2.88 Hz, 1H) 6.38 (s, 1H) 7.30 (s, 1H) 7.59 (s, 1H) 7.77 (d, J=22.4 Hz, 3H) 8.11 (s, 2H) 9.20-9.66 (m, 1H); MS (ESI(+)) m/e 408 (M+1)+.
  • 2
  • [ 876343-24-7 ]
  • [ 887341-00-6 ]
  • (1S,2S,3R,4R)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ No CAS ]
  • [ 1258556-12-5 ]
YieldReaction ConditionsOperation in experiment
Example 42 (1S,2S,3R,4R)-3-({5-chloro-2-[(1-ethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide The title compound was prepared as described in Example 1, substituting <strong>[876343-24-7]1-ethyl-1H-pyrazol-4-amine</strong> for 1-methyl-1H-pyrazol-4-amine in Example 1B along with substitution of (+)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide for (+/-)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2,4,5-trichloropyrimidine for 2,4-dichloro-5-fluoropyrimidine in Example 1A. 1H NMR (501 MHz, DMSO-D6, T=90° C.) ppm 1.36 (t, J=7.2 Hz, 3H) 1.42 (d, J=8.8 Hz, 1H) 2.12 (d, J=8.8 Hz, 1H) 2.55 (d, J=8.3 Hz, 1H) 2.79 (s, 1H) 2.88 (s, 1H) 4.05 (q, J=7.2 Hz, 2H) 4.15 (t, J=7.8 Hz, 1H) 6.23-6.38 (m, 2H) 6.81-7.02 (m, 1H) 7.50 (s, 1H) 7.52 (d, J=7.4 Hz, 1H) 7.71 (s, 1H) 7.84 (s, 1H) 8.70 (s, 1H); MS (ESI(+)) m/e 374 (M+H)+.
  • 3
  • [ 876343-24-7 ]
  • [ 887341-00-6 ]
  • (1S,2S,3R,4R)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ No CAS ]
  • [ 1258556-14-7 ]
YieldReaction ConditionsOperation in experiment
Example 79 (1S,2S,3R,4R)-3-({5-bromo-2-[(1-ethyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide The title compound was prepared as described in Example 1, substituting <strong>[876343-24-7]1-ethyl-1H-pyrazol-4-amine</strong> for 1-methyl-1H-pyrazol-4-amine in Example 1B along with substitution of (+)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide for (+/-)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2,4-dichloro-5-bromopyrimidine for 2,4-dichloro-5-fluoropyrimidine in Example 1A. 1H NMR (400 MHz, DMSO-D6, T=90° C.) ppm 1.36 (t, J=7.32 Hz, 3H) 1.42 (d, J=8.54 Hz, 1H) 2.12 (d, J=8.85 Hz, 1H) 2.55 (d, J=7.93 Hz, 1H) 2.77 (s, 1H) 2.88 (s, 1H) 4.05 (q, J=7.32 Hz, 2H) 4.16 (t, J=7.93 Hz, 1H) 6.21-6.39 (m, 2H) 6.77-6.97 (m, 1H) 7.36-7.54 (m, 3H) 7.70 (s, 1H) 7.91 (s, 1H) 8.68 (s, 1H); MS (ESI(+)) m/e 420 (M+H)+.
  • 4
  • [ 876343-24-7 ]
  • [ 887341-00-6 ]
  • (1S,2S,3R,4R)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ No CAS ]
  • [ 1258557-63-9 ]
YieldReaction ConditionsOperation in experiment
Example 140 (1S,2S,3R,4R)-3-({2-[(1-ethyl-1H-pyrazol-4-yl)amino]-5-nitropyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide The title compound was prepared as described in Example 1, substituting <strong>[876343-24-7]1-ethyl-1H-pyrazol-4-amine</strong> for 1-methyl-1H-pyrazol-4-amine in Example 1B along with substitution of (+)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide for (+/-)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2,4-dichloro-5-nitropyrimidine for 2,4-dichloro-5-fluoropyrimidine in Example 1A. 1H NMR (400 MHz, DMSO-d6) ppm 1.38 (t, J=7.32 Hz, 3H) 1.42-1.50 (m, 1H) 2.19 (d, J=8.85 Hz, 1H) 2.58 (d, J=7.93 Hz, 1H) 2.84 (s, 1H) 2.91 (s, 1H) 4.10 (q, J=7.32 Hz, 2H) 4.38 (s, 1H) 6.29 (dd, J=5.49, 3.05 Hz, 1H) 6.37 (dd, J=5.65, 2.90 Hz, 1H) 6.80 (br s, 1H) 7.31 (br s, 1H) 7.63 (s, 1H) 7.79 (s, 1H) 8.89 (s, 1H) 9.68 (br s, 1H) 9.98 (br s, 1H); MS (ESI(+)) m/e 385 (M+H)+.
 

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