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[ CAS No. 53897-95-3 ] {[proInfo.proName]}

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Chemical Structure| 53897-95-3
Chemical Structure| 53897-95-3
Structure of 53897-95-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 53897-95-3 ]

CAS No. :53897-95-3 MDL No. :MFCD03017117
Formula : C13H11N3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 209.25 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 53897-95-3 ]

* 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 [ 53897-95-3 ]

[ 53897-95-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 136-17-4 ]
  • [ 53897-95-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; formic acid
  • 2
  • [ 64-18-6 ]
  • [ 136-17-4 ]
  • [ 53897-95-3 ]
YieldReaction ConditionsOperation in experiment
95% With hydrogenchloride at 110℃;
Stage #1: formic acid; 4-anilino-m-phenylenediamine With hydrogenchloride In water monomer at 100℃; for 1.5h; Stage #2: With sodium hydroxide In water monomer at 20℃; 1.3 [0119] Step 3:The crude material from step 2 was suspended in 4N HCI (2ml) and formic acid (0.5 ml). The mixture was heated to 1000C for 1.5 hours. The reaction was cooled to room temperature and 5 N NaOH was added to adjust pH to ~13. The mixture was extracted with DCM (3x 5ml). The combined organic layers were dried over MgSO-j, filtered, and solvent evaporated in vacuo to give the crude product that was carried forward without purification.
  • 3
  • [ 19064-68-7 ]
  • [ 53897-95-3 ]
  • [ 375842-77-6 ]
YieldReaction ConditionsOperation in experiment
97% Stage #1: 1-chloro-4-methylphthalazine; 1-phenylbenzimidazol-5-amine In isopropyl alcohol at 95℃; for 2.5h; Inert atmosphere; Stage #2: With sodium hydrogencarbonate 17.a A solution of l-chloro-4-methylphthalazine (180 mg, 0.85 mmol) and 5-amino-l- phenylbenzimidazole (4) (132 mg, 0.63 mmol) in /-PrOH (19 mL) is stirred at 95 °C under argon for 2.5 h, cooled to room temperature, and concentrated at reduced pressure. The residue is diluted with sat. NaHCO3 (15 mL) and extracted with CHCl3 (120 mL). The extract is washed (brine) and dried. After solvent removal at reduced pressure, the residue is purified on silica gel (1.5% to 10.7% methanol/ethyl acetate) to give 215 mg (97%) of 2 (BI- 3031) as a light-yellow solid, mp 239-241 0C. IR 3320, 2924, 1502 cm"1; 1H NMR (CDCl3 and CD3OD) δ 7.23-7.42 (m, 7H, 6, 7-BenzimidH, 1-C6H5), 7.66-7.76 (m, 3H, 6',7',-PhthH, 4-BenzimidH), 7.81 (m, IH, 5'-PhthH), 7.95 (s, IH, 2-BenzimidH), 8.14 ppm (m, IH, 8'- PhthH).
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