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Chemical Structure| 1002-18-2 Chemical Structure| 1002-18-2

Structure of 1002-18-2

Chemical Structure| 1002-18-2

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Product Details of [ 1002-18-2 ]

CAS No. :1002-18-2
Formula : C6H8Cl2O2S2
M.W : 247.16
SMILES Code : ClC(CCSSCCC(Cl)=O)=O
MDL No. :MFCD19439722
InChI Key :VURCJRMYKFUQSW-UHFFFAOYSA-N
Pubchem ID :11195974

Safety of [ 1002-18-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 1002-18-2 ]

* 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 [ 1002-18-2 ]

[ 1002-18-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1002-18-2 ]
  • [ 94341-56-7 ]
  • 5-chloro-2-(4-benzenesulfonyl-benzyl)-isothiazol-3-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Compound 1b was then transferred via pipette to a second flask (cooled in an ice water bath) containing DCM (250 mL), 4-iodobenzylamine Compound 1c (5.50 grams, 0.024 mol) and TEA (3.3 mL, 0.024 mol). The reaction mixture was stirred for 3 hrs, then approximately 2 molar equivalents of sulfuryl chloride (4.00 mL, 0.050 mol) was added and the mixture was stirred at ambient temperature for an additional 3 hrs. The mixture was evaporated in vacuo and the resulting crude oil was dissolved in DCM (250 mL), washed with water, dried over magnesium sulfate and concentrated in vacuo. The crude product was chromatographed on a silica gel flash column using a mobile phase of hexane:EtOAc in a 2:1 ratio to afford the intermediate 4,5-dichloro-2-(4-iodo-benzyl)-isothiazol-3-one Compound 1d as a solid. M.P. 104.5-107 C.; 1H NMR (CDCl3) delta 7.71 (m, 2H), 7.07 (d, 2H), 4.89 (s, 2H). Using the procedure of Example 1 and Compound 16e in place of Compound 1c, Compound 38 was obtained. 1H NMR (CDCl3) delta 7.95 (d, 4H), 7.59-7.49 (m, 3H), 7.40 (m, 2H), 6.31 (s, 1H), 4.93 (s, 2H), MS 387.9 (M+H+).
  • 2
  • [ 1002-18-2 ]
  • [ 120-35-4 ]
  • C34H34N4O6S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.937 g With N-ethyl-N,N-diisopropylamine; In dichloromethane; for 1.33333h;Inert atmosphere; (0189) Intermediate 4: 3,3'-Dithiopropionic acid (0.459 g, 2.18 mmol) was suspended in 20 mL EtOAc, and oxalyl chloride (0.58 mL, 6.65 mmol) was added under nitrogen, followed by DMF (0.05 mL). After 20 min the reaction was evaporated to an off-white film. This was redissolved in 15 mL dry DCM, and <strong>[120-35-4]3-amino-4-methoxybenzanilide</strong> (1.04 g, 4.3 mmol) was added, followed by N,N-diisopropylethylamine (DIEA) (0.78 mL, 4.49 mmol) and an additional 20 mL DCM. After 80 min the dense white slurry was filtered through a medium glass frit, rinsed with 2x20 mL DCM, 2x25 mL 1 M HCl, 2×25 mL 1 M NaOH, 2x50 mL water, and evaporated to dryness to yield the symmetrical disulfide, Intermediate 4, as an off-white solid (0.937 g, 65%). ES (+) MS m/e = 659 (M+1).
 

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