1-methylcyclodecan-1-ol | 76154-14-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methylcyclodecan-1-ol
• 英文别名: 1-methylcyclodecanol；1-Methyl-cyclodecanol-(1)
• CAS: 76154-14-8
• 化学式: C₁₁H₂₂O
• 分子量: 170.295
• InChiKey: BQLFEOLREMDHJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1-methylcyclodecan-1-ol 在 盐酸 作用下， 生成 1-chloro-1-methylcyclodecane
  参考文献：
  名称：

  The Effect of Ring Size on the Rate of Solvolysis of the 1-Chloro-1-methylcycloalkanes^1,2

  摘要：

  DOI：

  10.1021/ja01128a007
• 作为产物：
  描述：

  甲基碘化镁 、 环癸酮 在 乙醚 作用下， 生成 1-methylcyclodecan-1-ol
  参考文献：
  名称：

  The Effect of Ring Size on the Rate of Solvolysis of the 1-Chloro-1-methylcycloalkanes^1,2

  摘要：

  DOI：

  10.1021/ja01128a007

文献信息

• The characterization of and the evolution of molecular hydrogen by the μ-hydrido-bridged cyclodecyl cation. Relevance to the question of hydrocarbon protonation by superacids
  作者：R.P. Kirchen、T.S. Sorensen、K. Wagstaff、A.M. Walker

  DOI：10.1016/s0040-4020(01)87510-4

  日期：1986.1

  The observable cyclodecyl cation is established as having a 1,5-μ-hydrido-bridged structure and most probably exists as a mixture of conformational isomers. This solution carbocation is unique in organic chemistry in that it evolves molecular H2 at temperatures below -100°C to give the 9-decalyl cation. The mechanism of this reaction is postulated to involve a pentacoordinated carbocation intermediate

  可观察到的环癸基阳离子被确定为具有1,5-μ-氢桥联结构，最有可能以构象异构体的混合物形式存在。这种溶液的碳正离子在有机化学中是独特的，因为它在低于-100°C的温度下会释放出分子H 2，从而生成9-癸烷基阳离子。推测该反应的机理包括五配位碳正离子中间体或过渡态，其结构与通过使十氢化萘的桥头CH键质子化而得到的结构相同。由于过酸中十氢化萘转化为十烷基阳离子的过程中并没有明显的H 2伴随 在生产中，这两个反应的机理必须不同，并且在后一种情况下不能像假定的那样涉及质子化的五配位碳正离子中间体。
• [EN] PROCESS FOR THE ALKYLATION OF PHOSPHORUS-CONTAINING COMPOUNDS<br/>[FR] PROCEDE D'ALKYLATION DE COMPOSES CONTENANT DU PHOSPHORE
  申请人：SUPRESTA LLC

  公开号：WO2005105818A1

  公开（公告）日：2005-11-10

  A process for alkylating a phosphorus-containing compound to provide an alkylated phosphorus-containing compound is provided which comprises alkylating 5 phosphorus-containing compound possessing at least one phosphorus-hydrogen alkylatable site with reactant which generates alkene and/or cycloalkene alkylating agent in situ in the presence of initiator, the alkylene and/or cycloalkylene alkylating agent alkylating the phosphorus-containing component to provide alkylated phosphorus-containing product.

  提供一种烷基化含磷化合物的方法，其中包括将至少具有一个磷-氢可烷基化位点的5个磷含量化合物与在引发剂存在下生成烯烃和/或环烷烃烷基化试剂的反应物进行烷基化，所述烯烃和/或环烷烃烷基化试剂烷基化磷含量成分以提供烷基化磷含量产物。
• METHOD FOR PRODUCING CARBOXYLIC ACID
  申请人：National Institute of Advanced Industrial Science and Technology

  公开号：EP1544190A1

  公开（公告）日：2005-06-22

  The present invention provides a safe, convenient and efficient method for producing carboxylic acid by a reaction of alicyclic alcohol with an aqueous hydrogen peroxide to thereby obtain carboxylic acid in high yield from alicyclic alcohol or alicyclic ketone under mild reaction conditions, wherein the reaction operation is simple and easy, a step for removing solvent after completion of the reaction is not necessary and influence and toxicity upon the environment and human body are markedly small. In order to provide it, an oily alicyclic alcohol is allowed to react with an aqueous hydrogen peroxide in the presence of a catalyst containing a metal compound belonging to Group 6 of the Periodic Table in a heterogeneous solution system.

  本发明提供了一种安全、方便、高效的生产羧酸的方法，该方法通过脂环醇与过氧化氢水溶液反应，从而在温和的反应条件下，从脂环醇或脂环酮中高产率地获得羧酸，反应操作简单易行，反应完成后无需去除溶剂的步骤，对环境和人体的影响和毒性明显较小。为了实现这一目标，需要在一个异相溶液体系中，在含有元素周期表第 6 族金属化合物的催化剂存在下，使油性脂环醇与过氧化氢水溶液发生反应。
• SUSTAINED HIV PROTEASE INHIBITOR
  申请人：Shionogi & Co., Ltd.

  公开号：EP3192794A1

  公开（公告）日：2017-07-19

  The present invention provides useful compounds for HIV protease inhibitor. A compound represented by formula or its pharmaceutically acceptable salt Formula: wherein ring A is R4 is -Y-Z, hydrogen atom, halogen, hydroxy and the like, R5 is hydrogen atom, halogen, hydroxy and the like, R6 is each independently halogen, hydroxy, carboxy and the like, ring A may be substituted with said R6 at any substitutable position(s), a is an integer of 0 to 7, ring B is substituted or unsubstituted aromatic carbocyclyl, or substituted or unsubstituted aromatic heterocyclyl, ring C is substituted or unsubstituted aromatic carbocyclyl, substituted or unsubstituted non-aromatic carbocyclyl, substituted or unsubstituted aromatic heterocyclyl, or substituted or unsubstituted non-aromatic heterocyclyl, R1 is -Y-Z, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl and the like, R2 and R3 are each independently -Y-Z or hydrogen atom, provided that at least one of R1, R2, R3 and R4 is a group represented by formula: -Y-Z, Y is a bond, or a spacer of any combination selected from the group consisting of -O-, -S-, -NR7-, -C(=O)-, -SO-, -SO2-, -NR7-C(=O)-, -C(=O)-NR7-, -NR7-C(=O)-NR7-, -NR7-C(=O)-O-, -SO2-NR7-, -NR7-SO2-, substituted or unsubstituted alkylene, substituted or unsubstituted alkenylene, substituted or unsubstituted alkynylene, substituted or unsubstituted aromatic carbocyclediyl, substituted or unsubstituted non-aromatic carbocyclediyl, substituted or unsubstituted aromatic heterocyclediyl and substituted or unsubstituted non-aromatic heterocyclediyl, R7 are each independently hydrogen atom, hydroxy, carboxy and the like, and Z is substituted aromatic carbocyclyl, substituted non-aromatic carbocyclyl, substituted aromatic heterocyclyl or substituted non-aromatic heterocyclyl.

  本发明提供了用于 HIV 蛋白酶抑制剂的有用化合物。由式或其药学上可接受的盐代表的化合物 式： 其中环 A 是 R4为-Y-Z、氢原子、卤素、羟基等、 R5 是氢原子、卤素、羟基等、 R6 各自独立地为卤素、羟基、羧基等、 环 A 可在任何可取代的位置被所述 R6 取代、 a 是 0 至 7 的整数、 环 B 是取代或未取代的芳香族碳环，或取代或未取代的芳香族杂环、 环 C 是取代或未取代的芳香族碳环，取代或未取代的非芳香族碳环，取代或未取代的芳香族杂环，或取代或未取代的非芳香族杂环、 R1 是-Y-Z、取代或未取代的烷基、取代或未取代的烯基、取代或未取代的炔基等、 R2 和 R3 各自独立地为-Y-Z 或氢原子、 条件是 R1、R2、R3 和 R4 中至少有一个是由式表示的基团：-Y-Z、 Y 是键，或选自以下组别的任意组合的间隔物：-O-、-S-、-NR7-、-C(=O)-、-SO-、-SO2-、-NR7-C(=O)-、-C(=O)-NR7-、-NR7-C(=O)-NR7-、-NR7-C(=O)-O-、-SO2-、-NR7-SO2-、取代或未取代的亚烷基、取代或未取代的烯基、取代或未取代的炔基、取代或未取代的芳香族碳环基、取代或未取代的非芳香族碳环基、取代或未取代的芳香族杂环基和取代或未取代的非芳香族杂环基、 R7 各自独立地为氢原子、羟基、羧基等，以及 Z 是取代的芳香族碳环基、取代的非芳香族碳环基、取代的芳香族杂环基或取代的非芳香族杂环基。
• Method for producing carboxylic acid
  申请人：Sato Kazuhiko

  公开号：US20050215817A1

  公开（公告）日：2005-09-29

  The present invention provides a safe, convenient and efficient method for producing carboxylic acid by a reaction of alicyclic alcohol with an aqueous hydrogen peroxide to thereby obtain carboxylic acid in high yield from alicyclic alcohol or alicyclic ketone under mild reaction conditions, wherein the reaction operation is simple and easy, a step for removing solvent after completion of the reaction is not necessary and influence and toxicity upon the environment and human body are markedly small. In order to provide it, an oily alicyclic alcohol is allowed to react with an aqueous hydrogen peroxide in the presence of a catalyst containing a metal compound belonging to Group 6 of the Periodic Table in a heterogeneous solution system.

  本发明提供了一种安全、方便、高效的生产羧酸的方法，该方法通过脂环醇与过氧化氢水溶液反应，从而在温和的反应条件下，从脂环醇或脂环酮中高产率地获得羧酸，反应操作简单易行，反应完成后无需去除溶剂的步骤，对环境和人体的影响和毒性明显较小。为了实现这一目标，需要在一个异相溶液体系中，在含有元素周期表第 6 族金属化合物的催化剂存在下，使油性脂环醇与过氧化氢水溶液发生反应。