2-[2,3-bis(isopropylthio)benzyl]pyridine | 332101-34-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[2,3-bis(isopropylthio)benzyl]pyridine
• 英文别名: 2-[[2,3-Bis(propan-2-ylsulfanyl)phenyl]methyl]pyridine；2-[[2,3-bis(propan-2-ylsulfanyl)phenyl]methyl]pyridine
• CAS: 332101-34-5
• 化学式: C₁₈H₂₃NS₂
• 分子量: 317.519
• InChiKey: ZNDCRRDSVKQZPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  63.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[2,3-bis(isopropylthio)benzyl]pyridine 在 氨 、 sodium 、 sulfur 作用下， 以 四氢呋喃 、 二氯甲烷 、 氨 为溶剂， 反应 72.5h， 生成 6-[(2-pyridyl)methyl]benzopentathiepin
  参考文献：
  名称：

  Synthesis and Characterization of Functionalized Benzopentathiepins

  摘要：

  Four benzopentathiepins (12, 14, 16, and 18) having a functional group, such as aminoethyl, pyridyl, pyrimidinyl, and thienyl groups, respectively, on the benzene ring were synthesized from 3-substituted 1,2-benzenedithiol by sulfurization with elemental sulfur in the presence of ammonia. These benzopentathiepins were characterized in the light of interaction of the pentathiepin ring with the functional group.

  DOI：

  10.3987/com-00-9073
• 作为产物：
  描述：

  2,3-bis(isopropylthio)benzylalcohol 在 氯化亚砜 、 magnesium 、 1,2-二溴乙烷 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 13.0h， 生成 2-[2,3-bis(isopropylthio)benzyl]pyridine
  参考文献：
  名称：

  Synthesis and Characterization of Functionalized Benzopentathiepins

  摘要：

  Four benzopentathiepins (12, 14, 16, and 18) having a functional group, such as aminoethyl, pyridyl, pyrimidinyl, and thienyl groups, respectively, on the benzene ring were synthesized from 3-substituted 1,2-benzenedithiol by sulfurization with elemental sulfur in the presence of ammonia. These benzopentathiepins were characterized in the light of interaction of the pentathiepin ring with the functional group.

  DOI：

  10.3987/com-00-9073

文献信息

• Synthesis and Characterization of Functionalized Benzopentathiepins
  作者：Ryu Sato、Tetsuya Ohyama、Takatomo Kawagoe、Masaru Baba、Shiduko Nakajo、Takeshi Kimura、Satoshi Ogawa

  DOI：10.3987/com-00-9073

  日期：——

  Four benzopentathiepins (12, 14, 16, and 18) having a functional group, such as aminoethyl, pyridyl, pyrimidinyl, and thienyl groups, respectively, on the benzene ring were synthesized from 3-substituted 1,2-benzenedithiol by sulfurization with elemental sulfur in the presence of ammonia. These benzopentathiepins were characterized in the light of interaction of the pentathiepin ring with the functional group.