2,4-Dimethyl-3,5-dioxaheptan-1-ol | 82614-85-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-Dimethyl-3,5-dioxaheptan-1-ol
• 英文别名: 1-Propanol, 2-(1-ethoxyethoxy)-；2-(1-ethoxyethoxy)propan-1-ol
• CAS: 82614-85-5
• 化学式: C₇H₁₆O₃
• 分子量: 148.202
• InChiKey: VLECUSKDVHMJKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-Dimethyl-3,5-dioxaheptan-1-ol 生成 2-(1-Ethoxyethoxy)propanal
  参考文献：
  名称：

  XIYAMA, TAMEHDZIRO;KOBAYASI, KADZUXIRO;NISIDEH, KIEDZI;KAI, MARIKO

  摘要：

  DOI：
• 作为产物：
  描述：

  (2S,1'R/S)-Ethyl-2-(1'-ethoxyethoxy)propanoate 生成 2,4-Dimethyl-3,5-dioxaheptan-1-ol
  参考文献：
  名称：

  XIYAMA, TAMEHDZIRO;KOBAYASI, KADZUXIRO;NISIDEH, KIEDZI;KAI, MARIKO

  摘要：

  DOI：

文献信息

• Phosphane ligands with two binding sites of differing hardness for enantioselective Grignard cross coupling
  作者：Andreas Terfort、Henri Brunner

  DOI：10.1039/p19960001467

  日期：——

  A series of new, chiral phosphanes is presented, individual members of which were designed to serve as ligands in transition-metal mediated asymmetric Grignard cross coupling reactions. These ligands are characterized by a side chain containing one or two oxygen atoms with the capacity to act as binding sites for the incoming Grignard reagent. A number of structural parameters for the compounds was varied to learn about the reaction mechanism. Most of the ligands were tested in two cross coupling reactions, the formation of 3-phenylbut-1-ene and of 2,2′-dimethyl-1,1′-binaphthyl, respectively. Although both systems gave modest enantiomeric excesses it was not possible to make a comparison of their respective abilities.

  一系列新型手性膦被呈现出来，其中每个成员都被设计为在过渡金属介导的不对称Grignard交叉偶联反应中作为配体。这些配体的特点是具有含一个或两个氧原子的侧链，它们具备作为进入的Grignard试剂结合位点的能力。研究中改变了许多化合物的结构参数以深入了解反应机理。多数配体在两种交叉偶联反应中进行了测试，分别用于生成3-苯基丁-1-烯和2,2′-二甲基-1,1′-联萘。虽然这两个系统都获得了适度的对映体过量，但无法对其各自的能力进行比较。
• Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation
  申请人：GIST-BROCADES N.V.

  公开号：EP0368410A2

  公开（公告）日：1990-05-16

  Optically active 7,8-difluoro-3,4-dihydro-3-methyl-2H-[1,4]benzoxazines and 7,8-difluoro-3,4-dihydro-2-methyl-2H-[1,4]benzoxazines and the corresponding benzothiazines of formula III, where, one of the substituents R1, R2, R3 and R4 is CH20H or -CH2Z, the remaining being hydrogen, X denotes fluoro, chloro, methyl or hydrogen, Y is oxygen or sulfur and Z is hydrogen, fluoro or protected hydroxyl are obtained as the stereochemically pure products of a stereospecific synthesis using a 3,4-difluoronitrobenzene substituted with a stereochemically pure 2-(1-hydroxyisopropoxy), 2-(2-hydrox-I ypropoxy), 2-(1-hydroxyisopropylthio) or 2-(2-hydroxypropylthio) substituent. The obtained compounds are suited for the production of optically active pyridobenzoxazines and pyridobenzothiazines, among which are useful antibacterial optically active quinolones, particularly (S)-(-)-ofloxacin.

  具有光学活性的 7,8-二氟-3,4-二氢-3-甲基-2H-[1,4]苯并噁嗪和 7,8-二氟-3,4-二氢-2-甲基-2H-[1,4]苯并噁嗪以及相应的式 III 的苯并噻嗪、 其中，取代基 R1、R2、R3 和 R4 之一为 CH20H 或 -CH2Z，其余为氢；X 表示氟、氯、甲基或氢；Y 表示氧或硫，Z 表示氢、在使用立体化学纯度为 2-（1-羟基异丙氧基）、2-（2-羟基-I y 丙氧基）、2-（1-羟基异丙硫基）或 2-（2-羟基丙硫基）取代基取代的 3,4-二氟硝基苯进行立体特异性合成时，可获得氟或受保护羟基的立体化学纯度为 3,4-二氟硝基苯的产物。 所得到的化合物适用于生产光学活性吡啶并噁嗪类和吡啶并噻嗪类化合物，其中包括有用的抗菌光学活性喹诺酮类化合物，特别是 (S)-(-)-ofloxacin 。
• PROCESS FOR THE PRODUCTION OF ALKANEDIOL DERIVATIVES
  申请人：IHARA CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1146032A1

  公开（公告）日：2001-10-17

  The present invention provides a process for producing an alkanediol derivative represented by the general formula (II) from an ester compound represented by the general formula (I), safely without giving rise to racemization. The present invention lies in a process for producing an alcohol derivative represented by the following general formula (II): (wherein R2 and R3 are each independently a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; X is a hydrogen atom or a protecting group for hydroxyl group; and n is 0 or 1), which process comprises reducing an ester compound represented by the following general formula (I): (wherein R1 is an alkyl group having 1 to 4 carbon atoms; and R2, R3, X and n have the same definitions as given above) with sodium borohydride in a mixed solvent of at least one kind of solvent selected from the group consisting of aromatic hydrocarbons, aliphatic hydrocarbons and alicyclic hydrocarbons and a primary alcohol.

  本发明提供了一种从通式(I)所代表的酯类化合物生产通式(II)所代表的烷二醇衍生物的工艺，该工艺安全而不会引起消旋化。 本发明在于一种生产由以下通式（II）代表的醇衍生物的工艺： (其中 R2 和 R3 各自独立地为氢原子或具有 1 至 4 个碳原子的烷基；X 为氢原子或羟基的保护基团；n 为 0 或 1），该工艺包括还原由以下通式（I）代表的酯化合物： (其中 R1 是具有 1 至 4 个碳原子的烷基；R2、R3、X 和 n 的定义与上述相同）与硼氢化钠在至少一种选自芳香烃、脂肪烃、脂环烃和伯醇的混合溶剂中进行还原。
• XIYAMA, TAMEHDZIRO;KOBAYASI, KADZUXIRO;NISIDEH, KIEDZI;KAI, MARIKO
  作者：XIYAMA, TAMEHDZIRO、KOBAYASI, KADZUXIRO、NISIDEH, KIEDZI、KAI, MARIKO

  DOI：——

  日期：——
• US6720463B1
  申请人：——

  公开号：US6720463B1

  公开（公告）日：2004-04-13