(+/-)-6-hydroxy-1-phenyl-heptane | 116668-46-3

• 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: (+/-)-6-hydroxy-1-phenyl-heptane
• 英文别名: (+/-)-6-Hydroxy-1-phenyl-heptan；7-Phenyl-2-heptanol；7-phenylheptan-2-ol
• CAS: 116668-46-3
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: JAMXBYPXXIAEQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  硫酸 、 (+/-)-6-hydroxy-1-phenyl-heptane 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  The Synthesis of Condensed Polynuclear Hydrocarbons by the Cyclodehydration of Aromatic Alcohols. III. The Cyclization of Some Phenylated Alcohols and Related Olefins¹

  摘要：

  DOI：

  10.1021/ja01304a041
• 作为产物：
  描述：

  乙醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 (+/-)-6-hydroxy-1-phenyl-heptane
  参考文献：
  名称：

  The Synthesis of Condensed Polynuclear Hydrocarbons by the Cyclodehydration of Aromatic Alcohols. III. The Cyclization of Some Phenylated Alcohols and Related Olefins¹

  摘要：

  DOI：

  10.1021/ja01304a041

文献信息

• Oxidation and β-Alkylation of Alcohols Catalysed by Iridium(I) Complexes with Functionalised N-Heterocyclic Carbene Ligands
  作者：M. Victoria Jiménez、Javier Fernández-Tornos、F. Javier Modrego、Jesús J. Pérez-Torrente、Luis A. Oro

  DOI：10.1002/chem.201502910

  日期：2015.12.1

  for the use of alcohols as alkylating agents for CC bond forming processes offering significant environmental benefits over traditional approaches. Iridium(I)‐cyclooctadiene complexes having a NHC ligand with a O‐ or N‐functionalised wingtip efficiently catalysed the oxidation and β‐alkylation of secondary alcohols with primary alcohols in the presence of a base. The cationic complex [Ir(NCCH3)(cod)(MeIm(2‐

  借用氢的方法学允许将醇用作CC键形成过程的烷基化剂，与传统方法相比具有显着的环境效益。在碱存在下，具有NHC配体和O-或N-官能化的翼尖的铱（I）-环辛二烯络合物可有效催化仲醇与伯醇的氧化和β-烷基化。具有刚性O-官能化翼尖的阳离子络合物[Ir（NCCH 3）（cod）（MeIm（2-甲氧基苄基））] [BF 4 ]（cod = 1,5-环辛二烯，MeIm = 1-甲基咪唑基）显示苯甲醇在丙酮中脱氢的最佳催化剂性能，初始转换频率（TOF 0）为1283 h -1，以及2-丁醇与丁-1-醇的β-烷基化反应，在10小时内转化率为94％，对庚烷-2-醇的选择性为99％。我们已经通过DFT计算研究了完整的反应机理，包括脱氢，交叉羟醛缩合和氢化步骤。有趣的是，这些研究表明铱催化剂参与了导致形成新的CC键的关键步骤，该键涉及在碱性介质中生成的O-键烯醇与亲电子醛的反应。
• PETROLEUM BIOCONVERSION OF ORGANIC ACIDS TO PREVENT REFINERY CORROSION
  申请人：Dettman Heather D.

  公开号：US20120034683A1

  公开（公告）日：2012-02-09

  The present invention relates to the use of microorganisms (biocatalysts), or catalysts derived from these organisms (enzymes), to improve the quality of crude oil and bitumen as an attractive alternative to current upgrading methods. The invention identifies and characterizes the microorganism species, in particular, N. muscorum (UTEX 2209) and Kocuria rhizophilia (ATCC533), that have the capability to biochemically convert organic acids into chemical species that do not possess corrosive properties.
• US8980620B2
  申请人：——

  公开号：US8980620B2

  公开（公告）日：2015-03-17
• The Synthesis of Condensed Polynuclear Hydrocarbons by the Cyclodehydration of Aromatic Alcohols. III. The Cyclization of Some Phenylated Alcohols and Related Olefins¹
  作者：Richard O. Roblin、David Davidson、Marston Taylor Bogert

  DOI：10.1021/ja01304a041

  日期：1935.1