5,6-二羟基己基乙酸酯 | 141425-95-8

• 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: 5,6-二羟基己基乙酸酯
• 英文名称: Acetic acid 5,6-dihydroxy-hexyl ester
• 英文别名: 5,6-Dihydroxyhexyl acetate
• CAS: 141425-95-8
• 化学式: C₈H₁₆O₄
• 分子量: 176.213
• InChiKey: OYZMRGWLOJTYGF-UHFFFAOYSA-N

物化性质

• 沸点：
  300.1±32.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,6-二羟基己基乙酸酯 在 camphor-10-sulfonic acid 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 3.25h， 生成 4-(2,2-dimethyl-1,3-dioxolane-4-yl)-1-butanol
  参考文献：
  名称：

  Simple Designs for the Construction of Complex trans-Fused Polyether Toxin Frameworks. A Linear Strategy Based on Entropically Favored Oxirane Ring Enlargement in Epoxycycloalkenes Followed by Carbon-Carbon or Carbon-Oxygen Bond-Forming Cyclizations

  摘要：

  A successful design for the construction of trans-fused medium-size cyclic ethers is described. The key features of the synthesis are as follows: (i) intramolecular oxirane ring expansion in cycloalkenes to give bridged oxabicyclic systems and (ii) linear, one- or two-directional synthetic operations which generate external oxocycles in single reaction steps. The general approach involves the intramolecular addition of a stable gamma-alkoxy-substituted allylstannane to an aldehyde carbonyl group, and the entire reaction is conducted in a one-pot process which includes the following: (i) vic-diol fragmentation from the bridged oxabicyclic precursor and (ii) Lewis acid-induced cyclization of the resulting aldehyde-allylic tin system. While the present strategy was mostly developed around racemic models, the potential for adoption of;enantioselective features is immediate. The versatility, scope, limitations, and potential applications of the present technology are discussed in detail.

  DOI：

  10.1021/jo00089a034
• 作为产物：
  描述：

  4-(2,2-dimethyl-1,3-dioxolane-4-yl)-1-butanol 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 24.0h， 生成 5,6-二羟基己基乙酸酯
  参考文献：
  名称：

  四氢呋喃，四氢吡喃和氧杂环丁烷通过钴肟肟的π-阳离子环化反应形成

  摘要：

  关于（ω-羟基-β-羟基烷基）钴肟（1、2和3）的环化以形成5、6和7元环醚（4、5和6）的研究已有报道。可逆环化和最终不可逆烯烃分解（形成7、8和9）随环大小的变化而变化。实际的结果是形成5和6元环的环化是可行的，而形成7元环的环化是不可行的。

  DOI：

  10.1016/s0040-4039(98)00601-7

文献信息

• [EN] METHODS OF PRODUCING COMPOUNDS FROM 5-(HALOMETHYL)FURFURAL<br/>[FR] PROCÉDÉS DE PRODUCTION DE COMPOSÉS À PARTIR DE 5-(HALOMÉTHYL)FURFURAL
  申请人：MICROMIDAS INC

  公开号：WO2015175528A1

  公开（公告）日：2015-11-19

  Provided herein are methods of producing compounds, such as cyclohexanone, hexanediamine, hexanediol, hexamethylenediamine, caprolactam and nylon, from 5- (halomethyl)furfural.

  本文提供了一种从5-(卤代甲基)糠醛生产化合物的方法，例如环己酮、己二胺、己二醇、六亚甲基二胺、己内酰胺和尼龙。
• NOVEL ENERGETIC POLYPHOSPHAZENES
  申请人：GOLDING Peter

  公开号：US20120053356A1

  公开（公告）日：2012-03-01

  This invention describes the synthesis and use of novel energetic poly(phosphazene) materials suitable for binding high explosives. These materials may also be used as explosives in their own right. The materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material. In particular the tacky and rubbery nature of these materials makes them ideal for use as binder and co-binder materials.

  这项发明描述了合成和使用新型高能聚(磷氮酸酯)材料，适用于绑定高爆炸物。这些材料也可以作为独立的爆炸物使用。这些材料具有高能量密度，并且极易进行化学修改，从而可以修改材料的物理性质。特别是这些材料粘性和橡胶状的特性使它们非常适合用作粘结剂和共粘剂材料。
• Novel Energetic Polyphosphazenes
  申请人：Golding Peter

  公开号：US20080108784A1

  公开（公告）日：2008-05-08

  This invention describes the synthesis and use of novel energetic poly(phosphazene) materials suitable for binding high explosives. These materials may also be used as explosives in their own right. The materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material. In particular the tacky and rubbery nature of these materials makes them ideal for use as binder and co-binder materials.

  这项发明描述了合成和使用新型高能聚（磷氮）材料，适用于绑定高爆炸物。这些材料也可以作为自身的爆炸物使用。这些材料具有高能量密度，并且高度适应化学修饰，因此可以修改材料的物理性质。特别是这些材料的黏性和橡胶质感使它们非常适合用作粘合剂和共粘剂材料。
• Novel energetic polyphosphazenes
  申请人：The Secretary of State For Defence

  公开号：EP2460842A2

  公开（公告）日：2012-06-06

  This invention describes the synthesis and use of novel energetic poly(phosphazene) materials suitable for binding high explosives, consisting of homopolymer compounds comprising n units of structure (iii): where R2 = R3 and are each alkyl, alkyl ether or carbohydrate based side chains which contain energetic functionalities including nitro, nitramine, nitrate ester, or azide, and 3 ≤ n ≤ 10000. These materials may also be used as explosives in their own right. The materials possess high energy density and are highly amenable to chemical modification thereby allowing for modification to the physical properties of the material. In particular the tacky and rubbery nature of these materials makes them ideal for shaping co-binder materials.

  本发明描述了适用于结合烈性炸药的新型高能聚（磷苯）材料的合成和使用，该材料由包含 n 个结构(iii)单元的均聚物化合物组成： 其中 R2 = R3 和 R3 分别为烷基、烷基醚或碳水化合物基侧链，这些侧链含有高能官能团，包括硝基、硝胺、硝酸酯或叠氮化物，且 3 ≤ n ≤ 10000。 这些材料本身也可用作炸药。这些材料具有很高的能量密度，非常容易进行化学改性，因此可以改变材料的物理特性。特别是这些材料的粘性和橡胶性质，使其成为塑造共粘合剂材料的理想材料。
• Methods of producing compounds from 5-(halomethyl)furfural
  申请人：MICROMIDAS, INC.

  公开号：US10407547B2

  公开（公告）日：2019-09-10

  Provided herein are methods of producing compounds, such as cyclohexanone, hexanediamine, hexanediol, hexamethylenediamine, caprolactam and nylon, from 5-(halomethyl)furfural.

  本文提供了用 5-(卤代甲基)糠醛生产环己酮、己二胺、己二醇、己二胺、己内酰胺和尼龙等化合物的方法。