(2,7,7-Tris-hydroxymethyl-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-methanol | 261737-23-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (2,7,7-Tris-hydroxymethyl-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-methanol
• CAS: 261737-23-9
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: WRXBEBMPZSOXGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.17
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (2,7,7-Tris-hydroxymethyl-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-methanol 在 吡啶 作用下， 以 乙二醇乙醚 为溶剂， 反应 30.0h， 生成 dispiro[bis(2H-benzo[f]-3,4-dihydro-1,5-dithiepine-3,2',3,5')cyclopentano[e']indan]
  参考文献：
  名称：

  New Spirans Containing a 1,5-Benzodithiepine System, Derived from Methylbenzenes. Conformational Transmission

  摘要：

  [GRAPHICS]A synthesis of three new spirans, derived from methylbenzenes, containing the 1,5-benzodithiepine system is reported. X-ray structure proved the identity of model monospiran 9. In the solid and liquid state, the conformation of the seven membered ring is chair, and the five-membered ring has the envelope conformation. The effect of conformational transmission in spirans 9 and 10 was observed, The synthesis of trispirans from hexamethylbenzene using the proposed scheme is also possible.

  DOI：

  10.1021/ol990335p
• 作为产物：
  描述：

  四甲基萘 在 N-溴代丁二酰亚胺(NBS) 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (2,7,7-Tris-hydroxymethyl-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-methanol
  参考文献：
  名称：

  New Spirans Containing a 1,5-Benzodithiepine System, Derived from Methylbenzenes. Conformational Transmission

  摘要：

  [GRAPHICS]A synthesis of three new spirans, derived from methylbenzenes, containing the 1,5-benzodithiepine system is reported. X-ray structure proved the identity of model monospiran 9. In the solid and liquid state, the conformation of the seven membered ring is chair, and the five-membered ring has the envelope conformation. The effect of conformational transmission in spirans 9 and 10 was observed, The synthesis of trispirans from hexamethylbenzene using the proposed scheme is also possible.

  DOI：

  10.1021/ol990335p

文献信息

• New Spirans Containing a 1,5-Benzodithiepine System, Derived from Methylbenzenes. Conformational Transmission
  作者：Joanna Barańska、Jacek Grochowski、Janusz Jamrozik、Paweł Serda

  DOI：10.1021/ol990335p

  日期：2000.2.1

  [GRAPHICS]A synthesis of three new spirans, derived from methylbenzenes, containing the 1,5-benzodithiepine system is reported. X-ray structure proved the identity of model monospiran 9. In the solid and liquid state, the conformation of the seven membered ring is chair, and the five-membered ring has the envelope conformation. The effect of conformational transmission in spirans 9 and 10 was observed, The synthesis of trispirans from hexamethylbenzene using the proposed scheme is also possible.