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Chemical Structure| 41624-92-4 Chemical Structure| 41624-92-4

Structure of Methyl 8-chloro-8-oxooctanoate
CAS No.: 41624-92-4

Chemical Structure| 41624-92-4

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Product Details of [ 41624-92-4 ]

CAS No. :41624-92-4
Formula : C9H15ClO3
M.W : 206.67
SMILES Code : O=C(OC)CCCCCCC(Cl)=O
MDL No. :MFCD00134649
InChI Key :RKUPOLBFJIEWBZ-UHFFFAOYSA-N
Pubchem ID :4586585

Safety of [ 41624-92-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P264-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 41624-92-4 ]

* 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 [ 41624-92-4 ]

[ 41624-92-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 20876-36-2 ]
  • [ 41624-92-4 ]
  • [ 1361333-63-2 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; at 20 - 90℃; for 0.5h;Microwave irradiation; Sealed vessel; Preparation 3:Methyl 8-oxo-8-{2-oxoindolin-5-ylamino)octanoateIn a 35 ml microwave tube were placed 5-aminooxindole, methyl 8-chloro-8~ oxooctanoate (1.2 equivalents), triethylamine (1 equivalent), THF (10 ml) and a magnetic stir bar. The vessel was sealed with a septum and placed in the microwave cavity. Initial microwave irradiation of 200 W was used, the temperature being ramped from RT to 90 °C. Once 90 °C was reached the reaction vessel was held at this temperature for 30 min by moderation of the initial microwave power. Thereafter, the mixture was allowed to cool to RT, and then the reaction mixture was extracted with ethyl acetate (35 ml) and washed with water (2 x 50 ml). The organic layer was dried (MgS0 ). Filtration, then evaporation of the solvent, afforded a yellow solid. The product was recrystallized from ethyl acetate: hexane. The NMR results set out below indicate that the product was the title compound P3. H NMR (DMSO-de) 6 = 10.25 (1H, brs), 9.68 (1H, brs), 7.50 (1H, s), 7.29 (1H, d, J = 9.9 Hz), 6.71 (1 H, d, J = 8.4 Hz), 3.57 (3H, s), 3.44 (2H, s), 2.28 (4H, m). 1.54-1.21 (8H, m). 13C NMR (DMSO-de) delta = 176.2, 173.3, 170.6, 139.0, 133.4, 125.9, 118.3, 116.4, 108.7, 51.1 , 36.2 (2C), 33.1 , 28.2 (2C), 25.0. 24.2.
  • 2
  • [ 41624-92-4 ]
  • [ 29390-67-8 ]
  • [ 1434613-10-1 ]
YieldReaction ConditionsOperation in experiment
44% With pyridine; at 20℃; for 24h; In an oven dried round bottom flask (50 mL) equipped with stirrer 6-deoxy-6-amino-beta-cyclodextrin 3a (0.20 g, 0.18 mmol) was dissolved in reagent grade pyridine (2 mL) and methyl-3-chloro-8-oxooctanoate (0.14 mL, 0.95 mmol) (added in two portions) and then stirred overnight. The reaction mixture was concentrated under reduced pressure and diluted with acetone and then crashed out as a precipitate. The filter cake was collected and purified using reversed phase column chromatography using a linear gradient (eluant solvent system H2O ? MeOH). This gave 3b (0.10 mg, 44percent) as a white solid. 1H NMR (delta, 400.0 MHz, D2O): 1.10-1.30 (4H, m, -CH2-10 and 11), 1.40-1.68 (4H, m, -CH2- 9, and 12), 2.10-2.20 (2H, m, -CH2- 8), 2.28-2.40 (2H, m, -CH2- 13), 3.39-3.65 (14H, m, H2,4 betaCD), 3.70 (3H, s, -OCH3), 3.72-3.40 (26H, m, H3,5,6B-G betaCD), 5.00 (7H, m, H6A?,A??) 13C NMR (delta, 100.0 MHz, D2O): 24.1, 24.2, 27.9, 33.2, 52.0, 59.0, 60.2, 72.2, 73.5, 81.0, 102.3. MS ESI, +ve : 1305.2; m/z calculated for C51H86NO37 [M+H] +: 1305.8.
  • 3
  • [ 41624-92-4 ]
  • [ 1236199-60-2 ]
 

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