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Chemical Structure| 1028338-59-1 Chemical Structure| 1028338-59-1

Structure of 1028338-59-1

Chemical Structure| 1028338-59-1

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Product Details of [ 1028338-59-1 ]

CAS No. :1028338-59-1
Formula : C8H4BrClN2O
M.W : 259.49
SMILES Code : O=C1NN=C(Cl)C2=C1C=CC(Br)=C2
MDL No. :MFCD18909999

Safety of [ 1028338-59-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 1028338-59-1 ]

* 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 [ 1028338-59-1 ]

[ 1028338-59-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1028338-59-1 ]
  • [ 15205-15-9 ]
  • [ 1028336-76-6 ]
YieldReaction ConditionsOperation in experiment
15.8% With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In ISOPROPYLAMIDE; at 80℃; for 1h; Example 83 : 4-Chloro-6-(2-chloro-6-fluoro-benzylamino)-2H-phthalazin-l -one; A mixture 6-bromo-4-chloro-2H-phthalazin-l-one (150 mg, 0.58 mmol), 2- chloro-6-fluoro-benzylamine (102 mg, 0.64 mmol), Pd2(dba)3 (53 mg, 0.058 mmol), rac- BINAP (108 mg, 0.17 mmol) and NaOr-Bu (140 mg, 1.45 mmol) in DMA (6 mL) was heated at 8O0C for Ih. The mixture was allowed to cool, diluted with EtOAc (25 mL) and washed with water (25 mL). The organic layer was dried over anhydrous sodium sulfate and concentrated. Chromatography on silica (EtOAc/hexanes) yielded the title compound. 4-Chloro-6-(2-chloro-6-fluoro-benzylamino)-2H-phthalazin-l-one: 31 mg (15.8%): m/z (M+eta)=338. 1H-NMR (DMSO-J6) delta: 12.38 (s,lH), 7.94 (d,lH), 7.42 (m,3H), 7.30 (m, IH), 7.21 (dd,lH) 6.93 (s,lH), 4.49 (d,2H).
  • 2
  • [ 1028338-59-1 ]
  • [ 51586-20-0 ]
  • [ 1028337-05-4 ]
YieldReaction ConditionsOperation in experiment
23.6% With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In ISOPROPYLAMIDE; at 80℃; for 1h; Example 106: 4-Chloro-6-(2,3-dimethyl-benzylamino)-2H-phthalazin-l-one; A mixture 6-bromo-4-chloro-2H-phthalazin-l-one (150 mg, 0.58 mmol), 2,3- dimethyl-benzylamine (87 mg, 0.64 mmol), Pd2(dba)3 (53 mg, 0.058 mmol), rac-BINAP ( 132 mg, 0.17 mmol) and NaOf-Bu ( 140 mg, 1.45 mmol) in DMA (6 mL) was heated at 8O0C for Ih. The mixture was allowed to cool, diluted with EtOAc (25 mL) and washed with water (25 mL). The organic layer was dried over anhydrous sodium sulfate and concentrated. Chromatography on silica (EtOAc/hexanes) yielded the title compound. 4- Chloro-6-(2,3-dimethyl-benzylamino)-2H-phthalazin-l-one: 43 mg (23.6%): m/z (M+η)=314. 1H-NMR (DMSO-^) δ: 12.34 (s,lH), 7.92 (d,lH), 7.44 (m,lH), 7.10 (m,4H), 6.85 (s,lH), 4.36 (d,2H), 2.62 (s,3H), 2.22 (s,3H).
 

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