1-methyl-1,4-dihydro-2,3-benzoxathiin-3-oxide | 60027-36-3

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 醌二甲烷类
• 英文名称: 1-methyl-1,4-dihydro-2,3-benzoxathiin-3-oxide
• 英文别名: 1,3-Cyclohexadiene, 5-ethylidene-6-methylene-；5-ethylidene-6-methylidenecyclohexa-1,3-diene
• CAS: 60027-36-3
• 化学式: C₉H₁₀
• 分子量: 118.178
• InChiKey: UMOFRKGIUFGXNG-UHFFFAOYSA-N

物化性质

• 沸点：
  181.6±7.0 °C(Predicted)
• 密度：
  0.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  苯酞 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 磺酰氯 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 16.83h， 生成 1-methyl-1,4-dihydro-2,3-benzoxathiin-3-oxide
  参考文献：
  名称：

  Benzosultines as Sulfur Dioxide (SO₂) Donors

  摘要：

  In order to understand precise biological roles of sulfur dioxide (SO2), reliable SO2 donors, compounds that produce SO2 under physiological conditions, are necessary. The design and development of 1-phenyl-benzosultine as an efficient SO2 donor is reported. This compound undergoes cycloreversion to generate SO2 upon dissolution in aqueous buffer at 37 degrees C with a yield of 89% and a half-life of 39 min and shows SO2-like biological activity in a DNA cleavage assay.

  DOI：

  10.1021/ol400190f

文献信息

• Full chirality transfer in the synthesis of hindered tertiary boronic esters under in situ lithiation–borylation conditions
  作者：D. J. Blair、S. Zhong、M. J. Hesse、N. Zabaleta、E. L. Myers、V. K. Aggarwal

  DOI：10.1039/c6cc00536e

  日期：——

  Using non-cryogenic lithiation-borylation, sterically hindered tertiary neopentyl glycol boronic esters can be prepared from secondary benzylic carbamates with full chirality transfer.

  使用非低温锂化-硼酸化，可以从具有完全手性转移的仲苄基氨基甲酸酯制备位阻叔新戊二醇硼酸酯。
• Benzosultines as Sulfur Dioxide (SO₂) Donors
  作者：Satish R. Malwal、Mahesh Gudem、Anirban Hazra、Harinath Chakrapani

  DOI：10.1021/ol400190f

  日期：2013.3.1

  In order to understand precise biological roles of sulfur dioxide (SO2), reliable SO2 donors, compounds that produce SO2 under physiological conditions, are necessary. The design and development of 1-phenyl-benzosultine as an efficient SO2 donor is reported. This compound undergoes cycloreversion to generate SO2 upon dissolution in aqueous buffer at 37 degrees C with a yield of 89% and a half-life of 39 min and shows SO2-like biological activity in a DNA cleavage assay.