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CAS No.: | 100981-05-3 |
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Name: | 5-[BIS(METHYLSULFANYL)METHYLENE]-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE |
Molecular Structure: | |
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Formula: | C9H12 O4 S2 |
Molecular Weight: | 248.324 |
Synonyms: | 5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-[1,3]dioxan-4,6-dione;5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione;5-[Bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione; Isopropylidene[bis(methylthio)methylene]malonate |
Density: | 1.308±0.06 g/cm3(Predicted) |
Melting Point: | 119-120 °C(Solv: tetrahydrofuran (109-99-9); ligroine (8032-32-4)) |
Boiling Point: | 401.1±45.0 °C(Predicted) |
PSA: | 103.20000 |
LogP: | 1.76010 |
carbon disulfide
cycl-isopropylidene malonate
methyl iodide
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
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Stage #1: carbon disulfide; cycl-isopropylidene malonate With triethylamine In dimethyl sulfoxide at 20℃; for 3h; Stage #2: methyl iodide In dimethyl sulfoxide | 81% |
Stage #1: carbon disulfide; cycl-isopropylidene malonate With triethylamine In dimethyl sulfoxide at 20℃; for 1h; Stage #2: methyl iodide In dimethyl sulfoxide at 20℃; Cooling; | 52% |
In dimethyl sulfoxide for 5h; Ambient temperature; | 50% |
methyl iodide
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
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Stage #1: cycl-isopropylidene malonate With carbon disulfide; triethylamine In dimethyl sulfoxide at 20℃; for 1h; Stage #2: methyl iodide In dimethyl sulfoxide at 0 - 20℃; for 15h; | 28.8% |
cycl-isopropylidene malonate
methyl iodide
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
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With carbon disulfide; triethylamine 1) DMSO, 1 h, rt, 2) 14 h; Yield given. Multistep reaction; | |
With carbon disulfide In N-methyl-acetamide; hexane; ethyl acetate; mineral oil; benzene |
methyl iodide
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
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In dimethyl sulfoxide for 4h; Ambient temperature; Yield given; | |
In dimethyl sulfoxide at 0 - 20℃; for 4h; |
cycl-isopropylidene malonate
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
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Multi-step reaction with 2 steps 1: dimethylsulfoxide / 1 h / Ambient temperature 2: dimethylsulfoxide / 4 h / Ambient temperature View Scheme |
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethylamine
Conditions | Yield |
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In acetonitrile pH=7; | 100% |
Conditions | Yield |
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With tris-(2-carboxyethyl)-phosphine hydrochloride In aq. phosphate buffer; acetonitrile pH=7.8; | 99% |
Conditions | Yield |
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With tris-(2-carboxyethyl)-phosphine hydrochloride In aq. phosphate buffer; acetonitrile pH=7.8; | 99% |
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
2-bromoaniline
5-[2-bromoanilino(methylthio)methylene]-2,2-dimethyl[1,3]dioxane-4,6-dione
Conditions | Yield |
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Stage #1: 5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 1h; Stage #2: 2-bromoaniline In 2,2,2-trifluoroethanol at 20℃; for 1.5h; Further stages.; | 98% |
In 2,2,2-trifluoroethanol for 22h; Heating / reflux; | 88% |
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
ethylenediamine
5-(imidazolidin-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Conditions | Yield |
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In ethanol for 2h; Heating; | 97% |
In dichloromethane for 3h; | 84% |
In methanol; chloroform |