1-(苄基氧基)庚烷-2-醇 | 137226-14-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1-(苄基氧基)庚烷-2-醇
• 英文名称: 1-Phenylmethoxyheptan-2-ol
• CAS: 137226-14-3
• 化学式: C₁₄H₂₂O₂
• 分子量: 222.327
• InChiKey: HFMJYFWNEXXMFR-UHFFFAOYSA-N

物化性质

• 沸点：
  329.4±17.0 °C(Predicted)
• 密度：
  0.985±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(苄基氧基)庚烷-2-醇 在 palladium on activated charcoal 吡啶 、 4-二甲氨基吡啶 、 氢气 作用下， 以 正己烷 、 异丙醇 为溶剂， 反应 3.0h， 生成 2-羟基庚基乙酸酯
  参考文献：
  名称：

  Kinetic resolution of 2-acylated-1,2-diols by lipase-catalyzed enantiomer selective acylation

  摘要：

  Enantiomer selectivity of lipase catalyzed acylation of 2-acylated 1,2-diols was studied. First, acylation of 2-acetoxyheptan-1-ol rac-3b with vinyl acetate was investigated by varying the enzyme and the solvent, showing the highest enantiomer selectivity by using lipase from Pseudomonas fluorescens (PfL) in hexane-vinyl acetate (VA). We have found varying or even reversed enantiomer selectivity for different secondary acyl moieties in 2-acyloxyheptan-1-ols rac-3bA-F. Next, all six possible types of enantiomer selective biotransformations (hydrolysis of diacetate and the two kinds of monoacetetes; acylation of diol and the two kinds of monoacetates) were compared on two model diols rac-4b,d. Among the transformations investigated, acetylation of secondary monoacetates rac-3b,d showed the highest enantiomer selectivity. Finally, PfL catalyzed acetylations of several 2-acetylated 1,2-diols rac-3a-g were investigated under our optimum conditions. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00161-9
• 作为产物：
  描述：

  苄基缩水甘油醚 、 alkaline earth salt of/the/ methylsulfuric acid 反应 4.0h， 以82%的产率得到1-(苄基氧基)庚烷-2-醇
  参考文献：
  名称：

  源自正-硫代咪唑和吡咯的高阶混合氰丙酸酯：有机铜化学中的新“虚拟”配体替代品

  摘要：

  用CuCN处理N-硫代咪唑或N-硫代吡咯，然后用有机锂处理，生成铜酸盐R（Imid）Cu（CN）Li 2和R（Pyrr）Cu（CN）Li 2，相对于RCu（），它们显示出“更高阶”的反应性CN）李

  DOI：

  10.1016/s0040-4039(00)91854-9

文献信息

• Convenient Synthesis of Monoprotected 1,2-Diols
  作者：László Poppe、Katalin Recseg、Lajos Novák

  DOI：10.1080/00397919508011475

  日期：1995.12

  Abstract Reaction of the protected glycidol derivatives (1A-C) with a wide variety of Grignard reagents (2a-h) in the presence of catalytic amount of CuCN provided the corresponding monoprotected diol derivatives (3) in a highly regioselective manner.

  摘要 在催化量的 CuCN 存在下，受保护的缩水甘油衍生物 (1A-C) 与多种格氏试剂 (2a-h) 的反应以高度区域选择性的方式提供了相应的单保护二醇衍生物 (3)。
• Purine derivatives
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0145207A1

  公开（公告）日：1985-06-19

  Novel purine derivatives of formula as agents for treating autoimmune diseases are described. Also disclosed are processes for their production and pharmaceutical compositions comprising the compounds, as well as novel intermediates in the manufacture thereof.

  描述了新颖的式嘌呤衍生物 作为治疗自身免疫性疾病的药物。此外，还公开了其生产工艺和包含这些化合物的药物组合物，以及生产这些化合物的新型中间体。
• Glycerol derivatives
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0249249A2

  公开（公告）日：1987-12-16

  Novel glycerol derivatives of the following general formula: wherein Y is an acetyloxy or a chloro radical and R₇ is a C1-8 alkyl radical, a cycloalkyl radical of from five to seven ring members, a cycloalkylalkyl, an aryl or an aralkyl radical are described as intermediates in the manufacture of compounds for treating autoimmune diseases.

  以下通式的新型甘油衍生物： 其中 Y 是乙酰氧基或氯基，R₇ 是 C1-8 烷基、五到七个环成员的环烷基、环烷基烷基、芳基或芳烷基。
• SIRCAR, JAGADISH C.;SCHWENDER, CHARLES F.;SUTO, MARK J.
  作者：SIRCAR, JAGADISH C.、SCHWENDER, CHARLES F.、SUTO, MARK J.

  DOI：——

  日期：——
• SIRCAR, JAGADISH C.;SCHWENDER, CARLES F.;SUTO, MARK J.
  作者：SIRCAR, JAGADISH C.、SCHWENDER, CARLES F.、SUTO, MARK J.

  DOI：——

  日期：——