3,3,6-trimethyl-2,2-bis-trifluoromethyl-2,3-dihydro-[1,4,3,5,2]-oxathiadiazaborinine-3-ium-2-at-4-oxide | 497104-52-6

• 英文名称: 3,3,6-trimethyl-2,2-bis-trifluoromethyl-2,3-dihydro-[1,4,3,5,2]-oxathiadiazaborinine-3-ium-2-at-4-oxide
• CAS: 497104-52-6
• 化学式: C₆H₉BF₆N₂O₂S
• 分子量: 298.017
• InChiKey: YGUQUCVUXZMFLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  N-亚磺酰乙酰胺 、 dimethylaminobis(trifluoromethyl)borane 以 氯仿 、 正戊烷 为溶剂， 以74%的产率得到3,3,6-trimethyl-2,2-bis-trifluoromethyl-2,3-dihydro-[1,4,3,5,2]-oxathiadiazaborinine-3-ium-2-at-4-oxide
  参考文献：
  名称：

  [2+4] and [2+2] Cycloaddition Reactions of N-Sulfinyl Carboxylic Acid Amides with (CF3)2BNMe2. Crystal Structure ofcyclo-(CF3)2B-NMe2-S(=O)-N=C(p-CH3C6H4)-O

  摘要：

  N-sulfinylacylamides R-C(=O)-N=S=O react with (CF3)(2)BNMe2 (1) to form, by [2+4] cycloaddition, six-membered rings cyclo-(CF3)(2)B-NMe2-S(=O)-N=C(R)-O for R = Me (2), t-Bu (3), C6H5 (4), and p-CH3C6H4 (5) while N-sulfinylcarbamic. acid esters R-O-C(=O)-N=S=O react with 1 to yield mixtures of six-membered (cyclo-(CF3)(2)B-NMe2-S(=O)-N=C(OR)-O) and four-membered rings (cyclo-(CF3)(2)B-NMe2-S(=O)-N(C=O)OR) for R = Me (6 and 9), Et (7 and 10), and C6H5 (8 and 11). The structure of 5 has been determined by X-ray diffraction.

  DOI：

  10.1002/1521-3749(200211)628:11<2299::aid-zaac2299>3.0.co;2-4