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Chemical Structure| 57536-86-4 Chemical Structure| 57536-86-4

Structure of 57536-86-4

Chemical Structure| 57536-86-4

1-(Naphthalen-1-yl)piperazine

CAS No.: 57536-86-4

4.5 *For Research Use Only !

Cat. No.: A241781 Purity: 97%

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Product Details of [ 57536-86-4 ]

CAS No. :57536-86-4
Formula : C14H16N2
M.W : 212.29
SMILES Code : N1(C2=C3C=CC=CC3=CC=C2)CCNCC1
MDL No. :MFCD00600021
InChI Key :VNICFCQJUVFULD-UHFFFAOYSA-N
Pubchem ID :1342

Safety of [ 57536-86-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 57536-86-4 ]

* 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 [ 57536-86-4 ]

[ 57536-86-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 57536-86-4 ]
  • [ 93107-30-3 ]
  • 1-cyclopropyl-6-fluoro-7-(4-(naphthalen-1-yl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
41.8% In dimethyl sulfoxide; at 140℃; for 1.5h; Firstly, i-(naphthalen-i-yl)piperazine dihydrochloride (2.27; 100 mg, 0.35 mmol, 1 eq) was converted to its freebase form through workup with dichloromethane (3x2o mL) and water (10 mL) using a saturated solution of sodium hydrogencarbonate to neutralise the aqueous phase. Combined organic fractions were dried over MgSO4,filtered and concentrated in vacuo. Secondly, i-(naphthalen-i-yl)piperazine freebase mg, 0.35 mmol, 1 eq) and 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline- 3-carboxylic acid (1.4; 83.6 mg, 0.32 mmol, 0.9 eq) were added to DMSO ( mL) and stirred until full dissolution of both compounds was achieved. The reaction was subsequently heated to 140 oC for one and a half hours. Upon completion, the mixturewas allowed to cool and added to an SCX-2 catch and release cartridge (see Solid Phase Extraction method) to remove the DMSO solvent. The eluted crude was purified via trituration; the crude was washed with methanol (sxlo mL), then the remaining powder collected and re-filtered using dichloromethane. This second filtrate was concentrated in vacuo to afford compound 2.28 (67.05 mg, 41.8 percent yield) as a brownsolid. 1H NMR (400 MHz, CDC13) 6 15.05 (br. s., 1H), 8.80 (s, 1H), 8.24 - 8.29 (m, 1H), 8.07 (d,J = 12.84 Hz, 1H), 7.86 - 7.90 (m, 1H), 7.63 (d, J = 8.06 Hz, 1H), 7.47 - 7.54 (m, 3H),7.45 (d, J = 8.06 Hz, 1H), 7.19 (dd, J = 0.88, 7.43 Hz, 1H), 3.63 (br. s., 4H), 3.50 (br. s.,1H), 3.37 (br. s., 4H), 1.45 (br. 5., 2H), 1.26 (br. 5., 2H); 1F NMR (400 MHz, CDC13) 6 -120.50; LC-MS Retention time 8.78 minutes, found 458.1 [M+H] calculated for C27H24FN303 458.51 [M+H].
 

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