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Chemical Structure| 1000800-88-3 Chemical Structure| 1000800-88-3

Structure of 1000800-88-3

Chemical Structure| 1000800-88-3

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Product Details of [ 1000800-88-3 ]

CAS No. :1000800-88-3
Formula : C8H9BrN2OS
M.W : 261.14
SMILES Code : O=C1C(SC(Br)=N2)=C2CC(C)(C)N1
MDL No. :MFCD22571258

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Application In Synthesis of [ 1000800-88-3 ]

* 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 [ 1000800-88-3 ]

[ 1000800-88-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1000800-88-3 ]
  • [ 105655-01-4 ]
  • [ 1000793-42-9 ]
YieldReaction ConditionsOperation in experiment
80% With caesium carbonate;palladium diacetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In acetonitrile; at 85℃; for 16h;Inert atmosphere; 2-(6-bromo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydro-6,6-dimethylthiazolo[5,4-c]pyridin-4(5H)-one (11-III)To a solution of compound 11-I (2.7 g, 10.3 mmol) in acetonitrile (100 mL) were added Cs2CO3 (6.71 g, 20.6 mmol), Xanthophos (476 mg, 0.82 mmol) and Pd(OAc)2 (139 mg, 0.61 mmol) at room temperature. The reaction mixture was degassed by purging with argon and <strong>[105655-01-4]6-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine</strong> (2.31 g, 10.3 mmol) in acetonitrile was added. The reaction mixture was degassed for 45 minutes at RT and at 85 C. for 16 h. After completion of the reaction (monitored by TLC), the reaction mixture was filtered through a pad of celite, washed with 5% MeOH/DCM and the filtrate was concentrated in vacuo. The crude compound was purified by washing with diethyl ether to afford compound 11-III (3.24 g, 80%) as brown solid. TLC: EtOAc (Rf: 0.4); 1H-NMR (CDCl3, 200 MHz): delta 8.24 (d, J=2.2 Hz, 1H), 7.14 (dd, J=2.4, 8.8 Hz, 1H), 6.83 (d, J=9.0 Hz, 1H), 5.29 (bs, NH), 4.38-4.30 (m, 2H), 4.10-4.02 (m, 2H), 2.90 (s, 2H), 1.40 (s, 6H); Mass: 394.5 [M++1]; MP: 154.7 C.
 

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