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Structure of 495415-34-4

Chemical Structure| 495415-34-4

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Product Details of [ 495415-34-4 ]

CAS No. :495415-34-4
Formula : C12H18N2O4
M.W : 254.28
SMILES Code : O=C(C1(C#N)CCN(C(OC(C)(C)C)=O)CC1)O
MDL No. :MFCD12406601
InChI Key :URBDNSCLBSLLFQ-UHFFFAOYSA-N
Pubchem ID :57750275

Safety of [ 495415-34-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 495415-34-4 ]

* 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 [ 495415-34-4 ]

[ 495415-34-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 21109-25-1 ]
  • [ 495415-34-4 ]
  • [ 1035346-08-7 ]
YieldReaction ConditionsOperation in experiment
45.7% With N-ethyl-N,N-diisopropylamine; HATU; In ISOPROPYLAMIDE; at 20℃; for 24h; 26B . tert-Butyl 4-(( 1 H-indo 1-2- vDmethylcarbamo yl)-4-cvanopiperidine- 1 -carboxylate; HATU (2224 mg, 5.85 mmol) was added in one portion to l-(tert-butoxycarbonyl)-4- cyanopiperidine-4-carboxylic acid (1352 mg, 5.32 mmol), (lH-Indol-2-ylmethyl)amine (933mg, 6.38 mmol) and DIPEA (2.79 ml, 15.96 mmol) in DMA (15ml) at 2O0C under nitrogen. The resulting solution was stirred at 20 0C for 24 hours. The reaction mixture was diluted with EtOAc (100 mL), and washed sequentially with water (2 x 100 mL) and saturated brine (50 mL). The organic layer was dried over MgSO4, filtered and evaporated <n="142"/>to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 20 to 50percent EtOAc in isohexane. Pure fractions were evaporated to dryness to afford tert-butyl 4-((lH-indol-2-yl)methylcarbamoyl)-4-cyanopiperidine-l-carboxylate (930 mg, 45.7 percent) as a cream solid. IH NMR (400.13 MHz, CDC13) delta 1.47 (9H, s), 1.90 (2H, d), 2.06 - 2.14 (2H, m), 3.00 (2H, s), 4.22 (2H, s), 4.56 (2H, d), 6.38 - 6.39 (IH, m), 6.86 (IH, d), 7.09 (IH, t), 7.18 (IH, d), 7.33 (IH, d), 7.56 (IH, d), 8.64 (IH, s) MS m/e M-H 381
 

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