反式-3-烯-2,5-己二醇 | 200804-07-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 反式-3-烯-2,5-己二醇
• 英文名称: d,l-trans-3-hexene-2,5-diol
• 英文别名: meso-trans-3-hexene-2,5-diol；2,5-hexenediol；trans-Hex-3-en-2,5-diol；(E)-Hexen-2,5-diol；trans-hexene-(3)-diol-(2.5)；hex-3t-ene-2,5-diol；trans-Hexen-(3)-diol-(2.5)；hex-3-ene-2,5-diol；3-hexene-2,5-diol；(E)-hex-3-ene-2,5-diol
• CAS: 200804-07-5
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: AQSWYJHDAKIVIM-ONEGZZNKSA-N

物化性质

• 保留指数：
  1932;1932;1940

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  反式-3-烯-2,5-己二醇 以91%的产率得到
  参考文献：
  名称：

  BAECKVALL, J. -E.;BYSTROEM, S. E.;NORDBERG, R. E., J. ORG. CHEM., 1984, 49, N 24, 4619-4631

  摘要：

  DOI：
• 作为产物：
  描述：

  3-己炔-2,5-二醇 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 12.0h， 以88%的产率得到反式-3-烯-2,5-己二醇
  参考文献：
  名称：

  Hill, Richard K.; Pendalwar, Shekhar L.; Kielbasinski, Karen, Synthetic Communications, 1990, vol. 20, # 12, p. 1877 - 1884

  摘要：

  DOI：

文献信息

• Method for producing allyl compound, and ether or ester compound produced thereby
  申请人：MITSUBISHI CHEMICAL CORPORATION

  公开号：US20040147757A1

  公开（公告）日：2004-07-29

  A method for producing an allyl compound having a compositional formula different from that of an allyl starting material compound, which comprises reacting the allyl starting material compound with an oxygen nucleophilic agent in the presence of a catalyst containing at least one transition metal compound containing a transition metal selected from the group consisting of transition metals belonging to Group 8 to Group 10 of the Periodic Table and a multidentate phosphite compound.

  一种生产具有与烯丙基起始物质化合物不同的组成式的烯丙基化合物的方法，包括在存在至少一种含有从周期表第8组到第10组的过渡金属属于的过渡金属的过渡金属化合物和多齿膦酸酯化合物的催化剂的情况下，将烯丙基起始物质化合物与氧亲核试剂反应。
• Dynamic Kinetic Resolution of Secondary Diols via Coupled Ruthenium and Enzyme Catalysis
  作者：B. Anders Persson、Fernando F. Huerta、Jan-E. Bäckvall

  DOI：10.1021/jo990447u

  日期：1999.7.1

  Enzymatic acylation of secondary symmetrical diols (as meso/dl mixtures) in combination with ruthenium-catalyzed isomerization of the diol led to efficient dynamic kinetic resolution. In this way, a meso/dl mixture of the diol was transformed to enantiomerically pure (R,R)-diacetate, making efficient use of all the diol material. For some of the flexible substrates, substantial amounts of meso-diacetates

  二级对称二醇的酶促酰化（作为 meso/dl 混合物）与钌催化的二醇异构化相结合，导致有效的动态动力学拆分。通过这种方式，二醇的内消旋/dl 混合物转化为对映异构纯的 (R,R)-二乙酸酯，从而有效利用所有二醇材料。对于一些柔性基材，大量的内消旋二乙酸盐作为副产物形成。结果表明，内消旋产物的主要部分是通过分子内酰基转移途径形成的。
• [EN] PROCESS FOR PREPARING PERFUMING INTERMEDIATE<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UN INTERMÉDIAIRE PARFUMANT
  申请人：FIRMENICH & CIE

  公开号：WO2021176009A1

  公开（公告）日：2021-09-10

  The present invention relates to the field of organic synthesis and more specifically it concerns a process for preparing compound of formula (I) by a cross metathesis reaction. Said compound of formula (I) is valuable new chemical intermediate for producing perfuming ingredients and is also part of the present invention.

  本发明涉及有机合成领域，更具体地涉及一种通过交叉醚交换反应制备化合物(I)的方法。所述化合物(I)是用于生产香料成分的有价值的新化学中间体，也是本发明的一部分。
• Substituted 5-formyl-1,3-dioxepans
  申请人：BASF Aktiengesellschaft

  公开号：US04761489A1

  公开（公告）日：1988-08-02

  Substituted 5-formyl-1,3-dioxepans of the general formula I ##STR1## where R.sup.1 is a straight-chain or branched alkyl radical of 1 to 10 carbon atoms which may furthermore contain oxygen in the form of an ether group, or a 5-membered to 8-membered ring which is unsubstituted or substituted by alkyl groups and/or an alkylene group, has up to 10 carbon atoms and may furthermore contain oxygen in the form of an ether group, R.sup.2 is hydrogen, or R.sup.1 and R.sup.2 together form an alkylene radical of 4 to 10 carbon atoms which is unsubstituted or substituted by alkyl or alkoxy and may furthermore contain oxygen in the form of an ether group, and R.sup.3, R.sup.4, R.sup.5 and R.sup.6 are each hydrogen or methyl, and the total number of carbon atoms is not more than 25, their preparation and their use as scents. Particularly interesting compounds are 2-tert-butyl-5-formyl-1,3-dioxepan, 2-isopropyl-5-formyl-1,3-dioxepan, 2-pentyl-4,7-dimethyl-5-formyl-1,3-dioxepan, 2-(2,4,4-trimethylpentyl)-5-formyl-1,3-dioxepan, 9-formyl-7,12-dioxaspiro[5,6]dodecane and 2,4,4,7,7-pentamethyl-5-formyl-1,3-dioxepan.

  通式I的5-甲醛基-1,3-二氧杂环戊烷的替代物，其中R.sup.1是1到10个碳原子的直链或支链烷基基团，该基团可能进一步以醚基的形式含有氧，或者是一个未取代或取代的由烷基基团和/或烷基烷基取代的5-至8-元环，该环有最多10个碳原子，可能进一步以醚基的形式含有氧，R.sup.2是氢，或R.sup.1和R.sup.2一起形成一个未取代或取代的由烷基或烷氧基取代的4到10个碳原子的烷基基团，可能进一步以醚基的形式含有氧，R.sup.3、R.sup.4、R.sup.5和R.sup.6分别是氢或甲基，总碳原子数不超过25，它们的制备及用作香料。特别有趣的化合物包括2-叔丁基-5-甲醛基-1,3-二氧杂环戊烷，2-异丙基-5-甲醛基-1,3-二氧杂环戊烷，2-戊基-4,7-二甲基-5-甲醛基-1,3-二氧杂环戊烷，2-(2,4,4-三甲基戊基)-5-甲醛基-1,3-二氧杂环戊烷，9-甲醛基-7,12-二氧杂螺[5,6]十二烷和2,4,4,7,7-五甲基-5-甲醛基-1,3-二氧杂环戊烷。
• PHOTOLYTIC ACID-GENERATING POLYMERS AND MONOMERS FOR THEIR CONSTRUCTION
  申请人：BRAINARD Robert L.

  公开号：US20110130538A1

  公开（公告）日：2011-06-02

  Polymers for photoresists and monomers for incorporation into those polymers are disclosed. The polymers comprise a photoacid generator (PAG) component and at least a second component that is photolytically stable and acid-stable. The polymers may also contain a third, acid-labile component. The photoacid generator is based on N-sulfoxyimides and related moieties that contain photolabile oxygen-heteroatom and oxygen-aromatic carbon bonds.

  本发明揭示了用于光刻胶的聚合物和用于纳入这些聚合物的单体。聚合物包括光酸发生器（PAG）组分和至少第二个组分，该组分具有光解稳定性和酸稳定性。聚合物还可以包含第三种酸不稳定的组分。光酸发生器基于N-磺酰氧亚胺和相关的含有光敏氧杂原子和氧芳香碳键的基团。

表征谱图