39-butylheptaheptaconta-1,76-diene | 1315070-44-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 39-butylheptaheptaconta-1,76-diene
• 英文别名: 39-Butylheptaheptaconta-1,76-diene
• CAS: 1315070-44-0
• 化学式: C₈₁H₁₆₀
• 分子量: 1134.16
• InChiKey: CGNVUBVGVUSBBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  42.8
• 重原子数：
  81
• 可旋转键数：
  77
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1,20-二溴二十烷 在 Grubbs catalyst first generation 、 六甲基磷酰三胺 、 Wilkinson's catalyst 、 potassium tert-butylate 、 氢气 、 氢化钾 、 叔丁醇 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， -78.0~90.0 ℃ 、6.21 MPa 条件下， 反应 121.5h， 生成 39-butylheptaheptaconta-1,76-diene
  参考文献：
  名称：

  Decreasing the Alkyl Branch Frequency in Precision Polyethylene: Pushing the Limits toward Longer Run Lengths

  摘要：

  A symmetrical alpha,omega-diene monomer with a 36 methylene run length was synthesized and polymerized, and the unsaturated polymer was hydrogenated to generate precision polyethylene possessing a butyl branch on every 75th carbon (74 methylenes between branch points). The precision polymer sharply melts at 104 degrees C and exhibits the typical orthorhombic unit cell structure with two characteristic wide-angle X-ray diffraction (WAXD) crystalline peaks observed at 21.5 degrees and 24.0 degrees, corresponding to reflection planes (110) and (200), respectively.

  DOI：

  10.1021/ja2040046

文献信息

• Decreasing the Alkyl Branch Frequency in Precision Polyethylene: Pushing the Limits toward Longer Run Lengths
  作者：Bora Inci、Kenneth B. Wagener

  DOI：10.1021/ja2040046

  日期：2011.8.10

  A symmetrical alpha,omega-diene monomer with a 36 methylene run length was synthesized and polymerized, and the unsaturated polymer was hydrogenated to generate precision polyethylene possessing a butyl branch on every 75th carbon (74 methylenes between branch points). The precision polymer sharply melts at 104 degrees C and exhibits the typical orthorhombic unit cell structure with two characteristic wide-angle X-ray diffraction (WAXD) crystalline peaks observed at 21.5 degrees and 24.0 degrees, corresponding to reflection planes (110) and (200), respectively.