2-[5-(9H-(C60-Ih)[5,6]fulleren-1-yl)pentylsulfanyl]oxane | 220438-95-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-[5-(9H-(C60-Ih)[5,6]fulleren-1-yl)pentylsulfanyl]oxane
• CAS: 220438-95-9
• 化学式: C₇₀H₂₀OS
• 分子量: 908.994
• InChiKey: AAUHPFGEGQOZLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.8
• 重原子数：
  72
• 可旋转键数：
  7
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[5-(9H-(C60-Ih)[5,6]fulleren-1-yl)pentylsulfanyl]oxane 在 甲醇 、 氢溴酸 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 1.0h， 以62%的产率得到5-(9H-(C60-Ih)[5,6]fulleren-1-yl)pentane-1-thiol
  参考文献：
  名称：

  Preparation of ω-tetrahydropyran-2-ylsulfanylalkylmagnesium chlorides: Useful reagents for the synthesis of 1-(ω-mercaptoalkyl)-1,2-dihydrobuckminsterfullerenes (C60)

  摘要：

  omega-Tetrahydropyran-2-ylsulfanylalkylmagnesium chlorides are prepared as Grignard reagents containing protected mercaptoalkyl chains, which are useful for the direct introduction of omega-mercaptoalkyl chains to electrophiles. In order to prove the usefulness of these reagents, they were reacted with buckminsterfullerene (C(60)) to give 1-(omega-mercaptoalkyl)-1,2-dihydrobuckminsterfullerenes after the deprotection of THP group with TFA. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02142-x
• 作为产物：
  描述：

  (5-Chlor-pentyl)-acetyl-sulfid 在 甲醇 、 三氟化硼乙醚 、 magnesium 作用下， 反应 96.0h， 生成 2-[5-(9H-(C60-Ih)[5,6]fulleren-1-yl)pentylsulfanyl]oxane
  参考文献：
  名称：

  Preparation of ω-tetrahydropyran-2-ylsulfanylalkylmagnesium chlorides: Useful reagents for the synthesis of 1-(ω-mercaptoalkyl)-1,2-dihydrobuckminsterfullerenes (C60)

  摘要：

  omega-Tetrahydropyran-2-ylsulfanylalkylmagnesium chlorides are prepared as Grignard reagents containing protected mercaptoalkyl chains, which are useful for the direct introduction of omega-mercaptoalkyl chains to electrophiles. In order to prove the usefulness of these reagents, they were reacted with buckminsterfullerene (C(60)) to give 1-(omega-mercaptoalkyl)-1,2-dihydrobuckminsterfullerenes after the deprotection of THP group with TFA. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02142-x

文献信息

• Preparation of ω-tetrahydropyran-2-ylsulfanylalkylmagnesium chlorides: Useful reagents for the synthesis of 1-(ω-mercaptoalkyl)-1,2-dihydrobuckminsterfullerenes (C60)
  作者：Sung Hoon Kim、Sung Han Lee、Seung Hoon Kang

  DOI：10.1016/s0040-4039(98)02142-x

  日期：1998.12

  omega-Tetrahydropyran-2-ylsulfanylalkylmagnesium chlorides are prepared as Grignard reagents containing protected mercaptoalkyl chains, which are useful for the direct introduction of omega-mercaptoalkyl chains to electrophiles. In order to prove the usefulness of these reagents, they were reacted with buckminsterfullerene (C(60)) to give 1-(omega-mercaptoalkyl)-1,2-dihydrobuckminsterfullerenes after the deprotection of THP group with TFA. (C) 1998 Elsevier Science Ltd. All rights reserved.