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Chemistry
Organic Building Blocks
Alkenyls
Allicin
Chemistry
Organic Building Blocks
Alkenyls
Sulfides Aliphatic Chain Hydrocarbons

[ CAS No. 539-86-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 539-86-6
Chemical Structure| 539-86-6
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Product Details of [ 539-86-6 ]

CAS No. :539-86-6 MDL No. :MFCD00468100
Formula : C6H10OS2 Boiling Point : -
Linear Structure Formula :- InChI Key :JDLKFOPOAOFWQN-UHFFFAOYSA-N
M.W : 162.27 Pubchem ID :65036
Synonyms :
Diallyl thiosulfinate
Chemical Name :S-Allyl prop-2-ene-1-sulfinothioate

Safety of [ 539-86-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2810
Hazard Statements:H301-H311-H331 Packing Group:Ⅲ
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Application In Synthesis of [ 539-86-6 ]

* 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 [ 539-86-6 ]

[ 539-86-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 556-27-4 ]
  • [ 539-86-6 ]
YieldReaction ConditionsOperation in experiment
alliinase rich garlic juice extract; at 30℃; for 3h;Enzymatic reaction;Product distribution / selectivity; Example 1; 5 litres of alliinase rich garlic juice extract prepared using a centrifugal juicer (JE700 Proline (RTM) Domestic Juicer extractor), was blended with 35 litres of 10% AIINn solution in a reactor and stirred for 3 hours. The garlic was a pre peeled Spanish white variety obtained from the local market. The reaction temperature was maintained at 30QC with a water jacket. Reaction completion was determined by HPLC using the method described above. The resulting 40 litre solution was determined to have an allicin concentration of 15,000 ppm. The 40 litres of allicin solution was left to sediment at 4QC for 48 hours. The clear supernatant was decanted off. The liquid from the remaining sediment was removed by centrifuging at 3000 rpm for 30 minutes at 0QC and was combined with the supernatant. The clarified solution was filtered though a Whatman 1 13 filter paper then placed in a 100 litres reactor. 40 litres of Ice-cold Acetone was added to the reactor and the two liquids were stirred for 2 hours to ensure total homogenisation. The temperature was kept below 5QC at all times. The aqueous acetone solution was then left to sediment for 24 hours at -10QC. Any sediment was decanted off. 15 kg of sodium chloride was added to the clarified solution and the mixture was stirred for 3 hours in a baffled reactor. The solution was allowed to stand for 12 hours and cooled to less than 10QC, which was sufficient time for the immiscible acetone layer to separate from the brine layer. The allicin concentration of the top acetone layer and the bottom brine layer was determined to be 3 % (w/v) and 0.1 % (w/V) respectively.The acetone layer was dried with magnesium sulphate and filtered through celite. This left 25 litres of acetone. The acetone layer was then mixed with a 25 litre solution of acetone/water/acetic acid (65/34/1 (v/v)) in a 100 litres reactor. The solution was then heated at 60 degrees for 5 hours. The reaction was monitored by the HPLC ajoene method described above. The reaction mixture was then paper filtered through a 30 cm 1 13 Whatman paper filter. The filtrate was then reduced under vacuum at 50QC to remove solvent. The residue was centrifuged at 2000 ppm for 5 minutes. The sediment liquid was placed in a separating funnel and the bottom oil was removed. The oil was reduced under vacuum at 80QC degrees to remove any residual solvent. A total of 275g of oil was obtained the ajoene content was determined to be 35 % (w/v) and the E/Z ratio was determined to be 3:1 by HPLC (as described above).
With Petiveria alliacea L. alliinase; Petiveria alliacea lachrymatory factor synthase; pyridoxal 5'-phosphate; NAD; at 20℃; for 0.333333h;pH 8.0;aq. phosphate buffer; General procedure: Sulfenic acid substrates with which the LFS could react were generated in situ through the action of a P. alliacea alliinase/LFS complex on cysteine sulfoxide derivatives as reported in the thesis of He (2010). The reaction mixtures in 10 mM phosphate buffer, pH 8.0 (in a total volume of 1.0 mL), were minimally comprised of 1.5 mM substrate, 25 muM pyridoxal 50-phosphate (PLP), 3.0 mug of purified alliinase (~21 nM) and 5.7 mug of purified LFS (~34 nM). In those cases where the effects of cofactors were determined, 0.32 mM NAD(P)+, FAD or FMN was also present. The mixtures were incubated for 20 min at room temperature, and then 10-20 muL of the reaction solution was analyzed by HPLC using an analytical RP C-18 column (Microsorb-MV 100 A, 250 x 4.6 mm, 5 lm, Varian, Palo Alto, CA, USA) under the following conditions: flow rate: 1.0 mL min-1; mobile phase: water:acetonitrile (30:70, v/v); detection wavelength: 210 nm. Eluted products were analyzed by UV-Vis and ESI-TOF. The reaction between the alliinase/LFS complex and petiveriin was also conducted in 10 mM phosphate buffer prepared with D2O, and the HPLC eluted products were analyzed by ESI-TOF.
Reference： [1]Journal of the American Chemical Society,1945,vol. 67,p. 1032
[2]Experientia,1947,vol. 3,p. 114
    Helvetica Chimica Acta,1949,vol. 32,p. 198
[3]Patent: WO2010/100486,2010,A2 .Location in patent: Page/Page column 22-23
[4]Phytochemistry,2011,vol. 72,p. 1939 - 1946

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• Heat of Combustion • Hydride Reductions • Nucleophilicity of Sulfur Compounds • Oxidation States of Sulfur Compounds
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