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Chemical Structure| 420846-72-6

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Product Details of [ 420846-72-6 ]

CAS No. :420846-72-6
Formula : C16H12N2O3
M.W : 280.28
SMILES Code : O=C(O)C1=CC=CC(CC2=NNC(C3=C2C=CC=C3)=O)=C1
MDL No. :MFCD20483902
InChI Key :LOEQJTGFMWZFBM-UHFFFAOYSA-N
Pubchem ID :25131906

Safety of [ 420846-72-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis of [ 420846-72-6 ]

* 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 [ 420846-72-6 ]

[ 420846-72-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 420846-72-6 ]
  • [ 59878-57-8 ]
  • 4-(3-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
55% To a solution of 3-((4-oxo-3,4-dihydrophthalazin-l-yl)methyl)benzoic acid (1.00 g, 3.57 mmol) in DCM (100 mL) was added DIPEA (930 pL, 5.36 mmol) and HBTU (2.63 g, 5.36 mmol). The reaction mixture was stirred for 1 h before addition of cyclopropylpiperazine-l- ylmethanone (760 pL, 5.36 mmol) was carried out. The reaction mixture was then stirred at room temperature for 48 h, and the reaction mixture was extracted with DCM (3 x 50 mL) and washed with water (3 x 50 mL). The organic layers were collected, dried with MgSC and the excess solvent removed in vacuo. Purification via reverse phase HLPC was then carried out affording 4-(3-(4-(cyclopropanecabonyl)piperazine-l- carbnonyl)benzyl)phthalazin-l(2/7)-one (810 mg, 55%) as a white solid. 3H NMR (400 MHz, CDCb) d = 11.83 (bs, 1H), 8.46 - 8.39 (m, 1H), 7.73 - 7.67 (m, 3H), 7.37 - 7.30 (m, 3H), 7.27 - 7.20 (m, 1H), 4.33 (s, 2H), 3.89 - 3.18 (m, 8H), 1.78 - 1.60 (m, 1H), 1.00 - 0.90 (m, 2H), 0.82 - 0.64 (m, 2H); 13C NMR (100 MHz, CDCb) d = 172.4, 170.4, 161.1, 145.7, 138.3, 135.5, 133.5, 131.5, 130.2, 129.6, 129.0, 128.2, 127.2, 127.0, 125.5, 125.1, 47.5, 45.3, 42.3 (2C), 38.5, 14.2, 11.0, 7.73; IR (v, cm ): 2925, 1632, 1430, 1353, 1101, 772; HRMS (ESI) for C24H25N4O3 [M+H]+ requires 417.1856 found 417.2001; Mp: 82 - 84C.
 

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