5-[2-(2-Methyloxiran-2-yl)ethylsulfonyl]-1-phenyltetrazole | 908333-81-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[2-(2-Methyloxiran-2-yl)ethylsulfonyl]-1-phenyltetrazole
• CAS: 908333-81-3
• 化学式: C₁₂H₁₄N₄O₃S
• 分子量: 294.334
• InChiKey: KMBIQZCMYFENCO-UHFFFAOYSA-N

物化性质

• 熔点：
  88.3-88.7 °C(Solvent: Isopropanol)
• 沸点：
  493.9±37.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  98.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-[2-(2-Methyloxiran-2-yl)ethylsulfonyl]-1-phenyltetrazole 在 camphor-10-sulfonic acid 、 sodium hexamethyldisilazane 作用下， 以 乙二醇二甲醚 为溶剂， 反应 19.0h， 生成 (4E,6E,8R,9R,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-2,6,8,10-tetramethyldodeca-4,6,10-trien-1-ol
  参考文献：
  名称：

  The first total synthesis and structural determination of actinopyrone A

  摘要：

  Actinopyrone A (1) has been synthesized by using our developed remote stereoinduction, Kocienski olefination, Horner-Wadsworth-Emmons olefination, and reductive de-conjugation of the vinylpyrone. A concise method of O-methylation to obtain the gamma-pyrone has also been established. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.05.028
• 作为产物：
  描述：

  1-苯基-5-巯基四氮唑 在 碳酸氢钠 、 间氯过氧苯甲酸 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 98.0h， 生成 5-[2-(2-Methyloxiran-2-yl)ethylsulfonyl]-1-phenyltetrazole
  参考文献：
  名称：

  The first total synthesis and structural determination of actinopyrone A

  摘要：

  Actinopyrone A (1) has been synthesized by using our developed remote stereoinduction, Kocienski olefination, Horner-Wadsworth-Emmons olefination, and reductive de-conjugation of the vinylpyrone. A concise method of O-methylation to obtain the gamma-pyrone has also been established. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.05.028

文献信息

• The first total synthesis and structural determination of actinopyrone A
  作者：Seijiro Hosokawa、Kazuya Yokota、Keisuke Imamura、Yasuaki Suzuki、Masataka Kawarasaki、Kuniaki Tatsuta

  DOI：10.1016/j.tetlet.2006.05.028

  日期：2006.7

  Actinopyrone A (1) has been synthesized by using our developed remote stereoinduction, Kocienski olefination, Horner-Wadsworth-Emmons olefination, and reductive de-conjugation of the vinylpyrone. A concise method of O-methylation to obtain the gamma-pyrone has also been established. (c) 2006 Elsevier Ltd. All rights reserved.