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Chemical Structure| 138904-34-4 Chemical Structure| 138904-34-4

Structure of 138904-34-4

Chemical Structure| 138904-34-4

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Product Details of [ 138904-34-4 ]

CAS No. :138904-34-4
Formula : C8H5ClN4
M.W : 192.61
SMILES Code : N#CC1=C2N=C(C)C=C(Cl)N2N=C1
MDL No. :MFCD11040162

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Application In Synthesis of [ 138904-34-4 ]

* 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 [ 138904-34-4 ]

[ 138904-34-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 138904-34-4 ]
  • [ 110677-45-7 ]
  • 5-(4-(9H-carbazol-9-yl)styryl)-7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
31.5% With tert-butylammonium hexafluorophosphate(V); calcium(II) trifluoromethanesulfonate; In toluene; at 130℃; The mixture of compound 2 (100.0 mg, 0.52 mmol), 3c (211.0 mg,0.78 mmol), Ca(OTf)2 (10.0 mg) and Bu4NPF6 (10.0 mg) was stirred inthe solvent of toluene (10.0 mL) at 130 C overnight. The solvent wasevaporated under reduced pressure, and the residue was purified byflash chromatography with dichloromethane to afford compound 1c(18.0 mg). Yellow powder, yield: 31.5%, mp 172.2-174.1 C. IR v (KBr,cm-1): 3675, 2987, 2972, 2901, 1596, 1514, 1490, 1450, 1406, 1393,1227, 1066, 1056. 1H NMR (400 MHz, CDCl3) δ 8.44 (s, 1H, Ar-H), 8.15(d, J=7.7 Hz, 2H, Ar-H), 8.01 (d, J=16.0 Hz, 1H, Ar-H), 7.87 (d,J=8.2 Hz, 2H, Ar-H), 7.69 (d, J=8.0 Hz, 2H, Ar-H), 7.50 (d,J=8.1 Hz, 2H, Ar-H), 7.44 (t, J=7.6 Hz, 2H, Ar-H), 7.36-7.28 (m, 3H,Ar-H), 5.30 (s, 1H, Ar-H). 13C NMR (151 MHz, CDCl3) δ (ppm) 158.2,151.3, 147.8, 140.4, 140.1, 139.5, 139.4, 133.7, 130.9, 129.5, 127.2,126.1, 124.7, 123.7, 120.4, 112.5, 109.7, 109.2, 84.1. HRMS (ESI+):m/z calcd C27H16ClN5Na+ for [M + Na+]+: 468.0992, found:468.0983.
 

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