15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene | 1285628-97-8

• 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: 15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene
• 英文别名: 2-Sulfanylidene-2lambda5-phosphanonacyclo[19.5.2.23,6.12,13.04,12.05,9.018,27.024,28.017,29]hentriaconta-1(26),3(31),4(12),5(9),6(30),10,13(29),14,16,18(27),19,21(28),24-tridecaene；2-sulfanylidene-2λ5-phosphanonacyclo[19.5.2.23,6.12,13.04,12.05,9.018,27.024,28.017,29]hentriaconta-1(26),3(31),4(12),5(9),6(30),10,13(29),14,16,18(27),19,21(28),24-tridecaene
• CAS: 1285628-97-8
• 化学式: C₃₀H₁₉PS
• 分子量: 442.521
• InChiKey: GDQSWZACWLXSJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene 在 三乙基膦 作用下， 以 氯苯 为溶剂， 以76%的产率得到15b-phospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene
  参考文献：
  名称：

  Tandem Phospha-Friedel−Crafts Reaction toward Curved π-Conjugated Frameworks with a Phosphorus Ring Junction

  摘要：

  The tandem phospha-Friedel Crafts reaction transforms dichloro(m-teraryl)phosphine to the corresponding triarylphosphine derivatives containing curved pi-conjugated frameworks with a phosphorus ring junction. The rigid molecular frameworks enable these unprecedented phosphine compounds to hold an extended pi-conjugation spread over the whole molecule.

  DOI：

  10.1021/ol200571s
• 作为产物：
  描述：

  (1,2-dihydroacenaphthylen-5-yl)magnesium bromide 在 aluminum (III) chloride 、 正丁基锂 、 叔丁基锂 、 sulfur 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 、 正戊烷 为溶剂， 反应 37.0h， 生成 15b-thiophospha-3,4,12,13-tetrahydroacenaphtho[5,6-ab]cyclopenta[lm]perylene
  参考文献：
  名称：

  Tandem Phospha-Friedel−Crafts Reaction toward Curved π-Conjugated Frameworks with a Phosphorus Ring Junction

  摘要：

  The tandem phospha-Friedel Crafts reaction transforms dichloro(m-teraryl)phosphine to the corresponding triarylphosphine derivatives containing curved pi-conjugated frameworks with a phosphorus ring junction. The rigid molecular frameworks enable these unprecedented phosphine compounds to hold an extended pi-conjugation spread over the whole molecule.

  DOI：

  10.1021/ol200571s

文献信息

• Tandem Phospha-Friedel−Crafts Reaction toward Curved π-Conjugated Frameworks with a Phosphorus Ring Junction
  作者：Takuji Hatakeyama、Sigma Hashimoto、Masaharu Nakamura

  DOI：10.1021/ol200571s

  日期：2011.4.15

  The tandem phospha-Friedel Crafts reaction transforms dichloro(m-teraryl)phosphine to the corresponding triarylphosphine derivatives containing curved pi-conjugated frameworks with a phosphorus ring junction. The rigid molecular frameworks enable these unprecedented phosphine compounds to hold an extended pi-conjugation spread over the whole molecule.