2-[(o-chloromethyl)phenyl]benzo-1,3-dithiole | 1041006-50-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[(o-chloromethyl)phenyl]benzo-1,3-dithiole
• 英文别名: 2-[2-(Chloromethyl)phenyl]-1,3-benzodithiole；2-[2-(chloromethyl)phenyl]-1,3-benzodithiole
• CAS: 1041006-50-1
• 化学式: C₁₄H₁₁ClS₂
• 分子量: 278.826
• InChiKey: HSWUOASLMDWHLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-dihydro-2-benzothiophene-1-thione 、 2-carboxybenzene diazonium chloride 以 氯仿 为溶剂， 反应 2.0h， 以38%的产率得到2-[(o-chloromethyl)phenyl]benzo-1,3-dithiole
  参考文献：
  名称：

  Reaction of Dithiolactones with Benzyne: A Novel Synthesis of Benzo-1,3-dithioles

  摘要：

  The reaction of benzyne with several kinds of dithiolactones, such as beta-dithiolactone (9), benzothiophene-1-thione (13), 1,2-dithiolane-3-thione (20), and 3,3,5,5-tetramethyl-4-thioxothiolane-2-thione (7), afforded benzo-1,3-dithioles in moderate to good yields, whereas the reaction of benzyne with gamma-thionolactone (16) gave gamma-lactone and diphenyl disulfide.

  DOI：

  10.3987/com-07-11321

文献信息

• Reaction of Dithiolactones with Benzyne: A Novel Synthesis of Benzo-1,3-dithioles
  作者：Kentaro Okuma、Akiko Nojima、Yoshinobu Yokomori

  DOI：10.3987/com-07-11321

  日期：——

  The reaction of benzyne with several kinds of dithiolactones, such as beta-dithiolactone (9), benzothiophene-1-thione (13), 1,2-dithiolane-3-thione (20), and 3,3,5,5-tetramethyl-4-thioxothiolane-2-thione (7), afforded benzo-1,3-dithioles in moderate to good yields, whereas the reaction of benzyne with gamma-thionolactone (16) gave gamma-lactone and diphenyl disulfide.