(R)-3-(3,7-dimethyloctyl)benzoic acid | 908368-78-5

• 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: (R)-3-(3,7-dimethyloctyl)benzoic acid
• 英文别名: 3-[(3R)-3,7-dimethyloctyl]benzoic acid
• CAS: 908368-78-5
• 化学式: C₁₇H₂₆O₂
• 分子量: 262.392
• InChiKey: INXNGRSSRPUFCH-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-3-(3,7-dimethyloctyl)benzoic acid 在 palladium diacetate 氢碘酸 、 三甲基乙酸酐 、 溶剂黄146 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 (R)-3-(3,7-dimethyloctyl)-3'-hydroxybenzophenone
  参考文献：
  名称：

  Nonsteroidal Benzophenone-Containing Analogues of Cholesterol

  摘要：

  The four benzophenones, 10-13, containing the natural side chain of cholesterol (1) have been synthesized to explore whether the tetracyclic nucleus of 1 is essential for its biochemical properties. The syntheses of analogues 10, 11, and 13 feature efficient introduction of the alkyl side chain by Suzuki coupling. Preliminary biochemical evaluation of 10 and 12 suggests that the sterol tetracyclic nucleus is not required for biological compatibility with 1.

  DOI：

  10.1021/jo060481q
• 作为产物：
  描述：

  3-碘苯甲酸乙酯 在 sodium hydroxide 、 9-borabicyclo[3.3.1]nonane dimer 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 4.0h， 生成 (R)-3-(3,7-dimethyloctyl)benzoic acid
  参考文献：
  名称：

  Nonsteroidal Benzophenone-Containing Analogues of Cholesterol

  摘要：

  The four benzophenones, 10-13, containing the natural side chain of cholesterol (1) have been synthesized to explore whether the tetracyclic nucleus of 1 is essential for its biochemical properties. The syntheses of analogues 10, 11, and 13 feature efficient introduction of the alkyl side chain by Suzuki coupling. Preliminary biochemical evaluation of 10 and 12 suggests that the sterol tetracyclic nucleus is not required for biological compatibility with 1.

  DOI：

  10.1021/jo060481q

文献信息

• Nonsteroidal Benzophenone-Containing Analogues of Cholesterol
  作者：Yonghong Gan、David H. Blank、Joshua E. Ney、Thomas A. Spencer

  DOI：10.1021/jo060481q

  日期：2006.8.1

  The four benzophenones, 10-13, containing the natural side chain of cholesterol (1) have been synthesized to explore whether the tetracyclic nucleus of 1 is essential for its biochemical properties. The syntheses of analogues 10, 11, and 13 feature efficient introduction of the alkyl side chain by Suzuki coupling. Preliminary biochemical evaluation of 10 and 12 suggests that the sterol tetracyclic nucleus is not required for biological compatibility with 1.