Identification | Back Directory | [Name]
2,3-DIHYDRO-1,1-DIOXO-1,2-BENZISOTHIAZOLE | [CAS]
936-16-3 | [Synonyms]
1,2-benzoisothiazoline 1,1-dioxide 2,3-dihydro-1,2-benzothiazole 1,1-dioxide 2,3-DIHYDRO-1,1-DIOXO-1,2-BENZISOTHIAZOLE 2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide 2,3-dihydro-1,2-benzisothiazole 1,1-dioxide 2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione 1,2-Benzisothiazole, 2,3-dihydro-, 1,1-dioxide | [Molecular Formula]
C7H7NO2S | [MDL Number]
MFCD03426201 | [MOL File]
936-16-3.mol | [Molecular Weight]
169.2 |
Chemical Properties | Back Directory | [Melting point ]
105-107 °C(Solv: water (7732-18-5)) | [Boiling point ]
325.8±45.0 °C(Predicted) | [density ]
1.396±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
11.21±0.20(Predicted) | [Appearance]
White to off-white Solid |
Hazard Information | Back Directory | [Synthesis]
Step 1. Saccharin (10.0 g, 54.6 mmol) was slowly added to a 300 mL THF solution of LiAlH4 (2.24 g, 59.0 mmol) at 0 °C. The reaction mixture was stirred at 15 °C for 3 h in an inert atmosphere. Upon completion of the reaction, EtOAc (100 mL) was slowly added followed by 10% H2SO4 (100 mL). The organic layer was separated and washed with 100 mL of 5% sodium carbonate solution, dried over anhydrous sodium sulfate, filtered and concentrated to afford 1,2-dihydro-1,1-dioxo-1,2-benzisothiazole (4.4 g, 97%). | [References]
[1] Patent: WO2018/49324, 2018, A1. Location in patent: Page/Page column 25 [2] Organic Letters, 2014, vol. 16, # 6, p. 1550 - 1553 [3] Patent: WO2017/21805, 2017, A1. Location in patent: Page/Page column 174 [4] Patent: US2013/303524, 2013, A1. Location in patent: Paragraph 0268-0269 [5] Journal of Medicinal Chemistry, 2016, vol. 59, # 19, p. 8868 - 8878 |
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