3-phenylhexane-1,6-diol | 1391860-11-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-phenylhexane-1,6-diol
• CAS: 1391860-11-9
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: YKFVHJLBYGITHS-UHFFFAOYSA-N

物化性质

• 沸点：
  354.7±30.0 °C(Predicted)
• 密度：
  1.055±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  五甲基苯乙酮 、 3-phenylhexane-1,6-diol 在 potassium tert-butylate 、 C₁₄H₁₂BrMnN₂O₃S 作用下， 以 2-甲基-2-丁醇 为溶剂， 反应 36.0h， 以57%的产率得到C₂₅H₃₂O
  参考文献：
  名称：

  不含磷的锰催化剂可从甲基酮和1，n-二元醇立体选择性合成（1 + n）-元环烷烃

  摘要：

  本文中，我们报道了由甲基酮和1，n-二醇立体选择性合成（1 + n）元环烷烃。带有无膦配体的锰（I）配合物催化了该反应，该过程涉及通过一系列分子间和分子内借位的氢化反应形成两个CC键。它产生2摩尔的水作为唯一的副产品，使该工艺原子经济且对环境无害。以非常高的选择性，以良好至优异的产率获得了多取代的环烷烃。通过高级DFT计算进行的全面机械分析合理化了对钳子的选择，并确定了这种有效转化过程中配体半合性的作用。

  DOI：

  10.1021/acscatal.9b05567
• 作为产物：
  描述：

  γ-苯基-ε-己内酯 在 samarium diiodide 、 水 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以99%的产率得到3-phenylhexane-1,6-diol
  参考文献：
  名称：

  使用SmI 2 –H 2 O † ‡可使内酯的一般电子转移还原

  摘要：

  在此，我们描述了一种使用SmI 2选择性还原所有环大小和拓扑结构的内酯的电子转移的策略–高氧2和路易斯碱调节复合物的氧化还原性质。当前方案允许在温和的反应条件下和有用的化学选择性下，以优异的产率将内酯瞬时还原成相应的二醇。我们通过减少复杂的内酯和类似药物的敏感分子，证明了这种转化的广泛用途。还描述了顺序电子转移反应和氘代二醇的合成。

  DOI：

  10.1039/c2ob00017b

文献信息

• RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME
  申请人：The Yokohama Rubber Co., Ltd.

  公开号：EP3269770A1

  公开（公告）日：2018-01-17

  Object: Provided is a rubber composition with which low heat build-up is enhanced to or beyond conventional levels while wear resistance is ensured. Solution means: The rubber composition contains a diene rubber containing a styrene-butadiene copolymer component formed from at least one type of styrene-butadiene copolymers, and a reinforcing filler; the styrene-butadiene copolymer component formed from at least one type of styrene-butadiene copolymers satisfying that: (1) a bonded styrene content being from 5 to 50 wt.%; (2) a total of styrene content of an ozone-decomposed component S1 having one styrene-derived unit and styrene content of an ozone-decomposed component S1V1 having one styrene-derived unit and one 1,2-bonded butadiene-derived unit being less than 80 wt.% of the bonded styrene content and a total of styrene content of the ozone-decomposed component S1V1 being 10 wt.% or greater of the bonded styrene content; (3) an integrated intensity of an ozone-decomposed component S1V2 having one styrene-derived unit and two 1,2-bonded butadiene-derived units being 15% or greater of an integrated intensity of all ozone-decomposed components containing a styrene-derived unit; and (4) a vinyl content of butadiene moiety being 50% or greater.

  目的 提供一种橡胶组合物，该组合物可将低蓄热性提高到或超过传统水平，同时确保耐磨性。 解决方法 该橡胶组合物包含一种二烯橡胶，其中含有由至少一种苯乙烯-丁二烯共聚物形成的苯乙烯-丁二烯共聚物组分和一种补强填料；由至少一种苯乙烯-丁二烯共聚物形成的苯乙烯-丁二烯共聚物组分满足以下条件：(1) 键合苯乙烯含量为 5 至 50 wt.%； (2) 具有一个苯乙烯衍生单元的臭氧分解组分 S1 和具有一个苯乙烯衍生单元和一个 1,2-键合丁二烯衍生单元的臭氧分解组分 S1V1 的苯乙烯总含量低于键合苯乙烯含量的 80 wt.%，臭氧分解组分 S1V1 的苯乙烯总含量为键合苯乙烯含量的 10 wt.(3) 具有一个苯乙烯衍生单元和两个 1,2-丁二烯衍生单元的臭氧分解组分 S1V2 的综合强度为所有含有苯乙烯衍生单元的臭氧分解组分综合强度的 15%或以上；以及 (4) 丁二烯分子的乙烯基含量为 50%或以上。
• Rubber composition and pneumatic tire using same
  申请人：The Yokohama Rubber Co., LTD.

  公开号：US10472503B2

  公开（公告）日：2019-11-12

  The present technology provides a rubber composition containing a diene rubber including a styrene-butadiene copolymer component including at least one type of styrene-butadiene copolymer and a reinforcing filler. The bonded styrene content is from 5 to 50 wt. %. The total amount of styrene of an ozone decomposed component S1 including one styrene-derived unit and an ozone decomposed component S1V1 including one styrene-derived unit and one 1,2-bonded butadiene-derived unit is less than 80 wt. % of the amount of bonded styrene. The total amount of styrene of the decomposed component S1V1 is less than 10 wt. % of the amount of bonded styrene. The integrated intensity of an ozone decomposed component S1V2 including one styrene-derived unit and two 1,2-bonded butadiene-derived units is less than 15% of the integrated intensity of all decomposed components including styrene-derived units. The vinyl content of a butadiene portion is not less than 50%.

  本技术提供了一种橡胶组合物，其中含有二烯橡胶，二烯橡胶包括苯乙烯-丁二烯共聚物组分，苯乙烯-丁二烯共聚物组分包括至少一种类型的苯乙烯-丁二烯共聚物和补强填料。粘合苯乙烯含量为 5 至 50 wt.%。包括一个苯乙烯衍生单元的臭氧分解组分 S1 和包括一个苯乙烯衍生单元和一个 1,2-键合丁二烯衍生单元的臭氧分解组分 S1V1 的苯乙烯总量小于键合苯乙烯总量的 80 wt.%。分解组分 S1V1 的苯乙烯总量小于键合苯乙烯总量的 10 wt.%。包括一个苯乙烯衍生单元和两个 1,2 键合丁二烯衍生单元的臭氧分解组分 S1V2 的综合强度低于包括苯乙烯衍生单元的所有分解组分综合强度的 15%。丁二烯部分的乙烯基含量不低于 50%。
• Rubber composition and pneumatic tire manufactured using same
  申请人：The Yokohama Rubber Co., LTD.

  公开号：US10675915B2

  公开（公告）日：2020-06-09

  A rubber composition contains a diene rubber containing a styrene-butadiene copolymer component formed from at least one type of styrene-butadiene copolymer and a reinforcing filler; the styrene-butadiene copolymer satisfying: a bonded styrene content being from 5 to 50 wt. %; a total of styrene content of an ozone-decomposed component S1 having one styrene-derived unit and styrene content of an ozone-decomposed component S1V1 having one styrene-derived unit and one 1,2-bonded butadiene-derived unit being less than 80 wt. % of the bonded styrene content and a total of styrene content of the ozone-decomposed component S1V1 being 10 wt. % or greater of the bonded styrene content; an integrated intensity of an ozone-decomposed component S1V2 having one styrene-derived unit and two 1,2-bonded butadiene-derived units being 15% or greater of an integrated intensity of all ozone-decomposed components containing a styrene-derived unit; and a vinyl content of butadiene moiety being 50% or greater.

  一种橡胶组合物包含一种二烯橡胶，其中含有由至少一种苯乙烯-丁二烯共聚物和补强填料形成的苯乙烯-丁二烯共聚物组分；该苯乙烯-丁二烯共聚物满足以下要求：粘合苯乙烯含量为 5 至 50 wt.具有一个苯乙烯衍生单元的臭氧分解组分 S1 的苯乙烯含量与具有一个苯乙烯衍生单元和一个 1,2-键丁二烯衍生单元的臭氧分解组分 S1V1 的苯乙烯含量的总和低于键合苯乙烯含量的 80 wt.具有一个苯乙烯衍生单元和两个 1,2-键合丁二烯衍生单元的臭氧分解组分 S1V2 的综合强度为所有含有苯乙烯衍生单元的臭氧分解组分综合强度的 15%或以上；丁二烯分子的乙烯基含量为 50%或以上。
• Ketyl-Type Radicals from Cyclic and Acyclic Esters are Stabilized by SmI₂(H₂O)_<i>n</i>: The Role of SmI₂(H₂O)_<i>n</i> in Post-Electron Transfer Steps
  作者：Michal Szostak、Malcolm Spain、David J. Procter

  DOI：10.1021/ja503494b

  日期：2014.6.11

  Mechanistic details pertaining to the SmI2-H2O-mediated reduction and reductive coupling of 6-membered lactones, the first class of simple unactivated carboxylic acid derivatives that had long been thought to lie outside the reducing range of SmI2, have been elucidated. Our results provide new experimental evidence that water enables the productive electron transfer from Sm(II) by stabilization of the radical anion intermediate rather than by solely promoting the first electron transfer as originally proposed. Notably, these studies suggest that all reactions involving the generation of ketyl-type radicals with SmI2 occur under a unified mechanism based on the thermodynamic control of the second electron transfer step, thus providing a blueprint for the development of a broad range of novel chemoselective transformations via open-shell electron pathways.
• Rubber Composition and Pneumatic Tire Manufactured Using Same
  申请人：The Yokohama Rubber Co., LTD.

  公开号：US20180072100A1

  公开（公告）日：2018-03-15

  A rubber composition contains a diene rubber containing a styrene-butadiene copolymer component formed from at least one type of styrene-butadiene copolymer and a reinforcing filler; the styrene-butadiene copolymer satisfying: a bonded styrene content being from 5 to 50 wt. %; a total of styrene content of an ozone-decomposed component S1 having one styrene-derived unit and styrene content of an ozone-decomposed component S1V1 having one styrene-derived unit and one 1,2-bonded butadiene-derived unit being less than 80 wt. % of the bonded styrene content and a total of styrene content of the ozone-decomposed component S1V1 being 10 wt. % or greater of the bonded styrene content; an integrated intensity of an ozone-decomposed component S1V2 having one styrene-derived unit and two 1,2-bonded butadiene-derived units being 15% or greater of an integrated intensity of all ozone-decomposed components containing a styrene-derived unit; and a vinyl content of butadiene moiety being 50% or greater.