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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 2426-07-5 Chemical Structure| 2426-07-5

Structure of 2426-07-5

Chemical Structure| 2426-07-5

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Product Details of [ 2426-07-5 ]

CAS No. :2426-07-5
Formula : C8H14O2
M.W : 142.20
SMILES Code : C1(CCCCC2OC2)OC1
MDL No. :MFCD00005155
InChI Key :LFKLPJRVSHJZPL-UHFFFAOYSA-N
Pubchem ID :17048

Safety of [ 2426-07-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H311-H341-H350
Precautionary Statements:P201-P280-P308+P313
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 2426-07-5 ]

* 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 [ 2426-07-5 ]

[ 2426-07-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2426-07-5 ]
  • [ 29390-67-8 ]
  • 6-mono(di-2-hydroxy-6-(oxiran-2-yl)hexylamino)-6-monodeoxy-β-CD [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% In N,N-dimethyl-formamide; at 85℃; for 4h;Microwave irradiation; The reaction was carried out under magnetic stirring in a professional MW oven, the temperature was monitored with a fibre-optic thermometer. Mono-6-amino mono-6-deoxy-beta-CD (400 mg, 0.35 mmol) was dissolved in anhydrous DMF (3 mL) and 1,7-octadiene dioxide (501 mg, 3.52 mmol) was added. The mixture was irradiated with MW (160 W) at 85 °C for 4 h. It was partially evaporated, dissolved with 800 muL of water then precipitated with cold acetone. The precipitate was purified by reverse phase column chromatography (H2O/CH3OH gradient from 97:3 to methanol 100percent) to yield 234 mg (52percent yield) of the desired product.CommentCompound 13 is a white powder; Rf = 0.46 (iPrOH/H2O/EtOAc/NH4OH = 5:3:1:1); 1H NMR (DMSO-d6, 300 MHz) delta = 5.87-5.68 (m, 14H, O(2)H, O(3)H), 4.86 (m, 7H, H-1), 4.64-4.51 (m, 6H, O(6)H), 3.66-3.21 (m, overlaid with water, H-2, H-4, H-5, H-6, H-3, H-b), 2.87 (m, 1H, H-g), 2.72 (m, 1H, H-h), 2.44 (m, 2H, H-h, H-a) 2.32 (m, 1H, H-a) 1.5-1.15 (m, 16H, H-c, H-d, H-e, H-f) ppm; 13C NMR (DMSO-d6, 75 MHz): delta = 103.04 (C1), 82.49 (C4), 74.03 (C3), 73.05 (C2), 72.85 (C5), 66.58 (C-b) 62.16 (C-a), 60.31 (C6), 52.43 (C-g), 47.13 (C-h), 31.9 (C-c, C-f), 26.82, 26.38, 26.47, 25.82 (C-d, C-e) ppm; MS (ESI): m/z calcd for C58H99NO38 [M+H]+ 1418.58 found, [M+Na+H]2+ 721.29 found 721.12.
 

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