trans-2-n-heptyl-5-hydroxy-1,3-dioxane | 18445-24-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: trans-2-n-heptyl-5-hydroxy-1,3-dioxane
• 英文别名: trans-2-n-heptyl-1,3-dioxan-5-ol
• CAS: 18445-24-4
• 化学式: C₁₁H₂₂O₃
• 分子量: 202.294
• InChiKey: FECNVCPDLIKUOL-XYPYZODXSA-N

物化性质

• 沸点：
  305.6±27.0 °C(Predicted)
• 密度：
  0.983±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  14.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  正辛醛 、 甘油 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 trans-2-n-heptyl-5-hydroxy-1,3-dioxane 、 cis-2-n-heptyl-5-hydroxy-1,3-dioxane
  参考文献：
  名称：

  化学结构和表面活性。10.羟基构型对2-烷基-4-（羟甲基）-1,3-二氧戊环和2-烷基-5-羟基-1,3-二恶烷在水溶液-空气界面吸附的影响

  摘要：

  DOI：

  10.1021/j100252a029

文献信息

• An Efficient Method for the Preparation of Pure Long-Chain CIS-and Trans-2-n-Alkyl-5-Hydroxy-1,3-Dioxanes^#
  作者：Andrzej Piasecki、Bogdan Burczyk、Adam Sokolowski、Urszula Kotlewska

  DOI：10.1080/00397919608004651

  日期：1996.11

  Abstract The title compounds were obtained with high yields from four-component mixtures of glycerol acetals by combining the transacetalization reaction with the crystallization process followed by fractional distillation. Part XXII in the series: Acetals and Ethers. For Part XXI see Ref. 1

  摘要 通过将转缩醛反应与结晶过程相结合，然后分馏，从甘油缩醛的四组分混合物中以高收率获得了标题化合物。该系列的第 XXII 部分：缩醛和醚。对于第 XXI 部分，请参阅参考资料。1
• METHOD FOR PRODUCING GLYCERIC ACID ESTER
  申请人：Kao Corporation

  公开号：EP3564226A1

  公开（公告）日：2019-11-06

  The present invention relates to providing a novel glyceric acid ester which can be produced in a high yield and is expected to be applied as a synthetic intermediate, and a method of producing the same. In addition, the present invention relates to providing a novel glyceric acid ester which exhibits a high recovery in a water-washing step after the reaction and a small work load at the time of production, and is expected to be applied as a synthetic intermediate, and a method of producing the same. The present invention provides a method of producing a compound represented by the following formula (II), including a step of oxidatively esterifying a compound represented by the following formula (I): wherein, in the formulae (I) and (II), R1 and R2 each independently represent a hydrogen atom or a monovalent hydrocarbon group, or R1 and R2 are bonded to each other to form a divalent hydrocarbon group for constituting a ring structure, provided that the case where R1 and R2 are a methyl group at the same time is excluded.

  本发明涉及提供一种新型甘油酸酯，该甘油酸酯可以高产率生产，有望用作合成中间体，本发明还涉及生产该甘油酸酯的方法。此外，本发明还涉及提供一种新型甘油酸酯，该甘油酸酯在反应后的水洗步骤中表现出较高的回收率，且生产时的工作量较小，有望用作合成中间体，以及生产该甘油酸酯的方法。本发明提供了一种生产下式（II）代表的化合物的方法，包括氧化酯化下式（I）代表的化合物的步骤： 其中，在式(I)和(II)中，R1 和 R2 各自独立地代表氢原子或一价烃基，或 R1 和 R2 相互键合形成二价烃基，以构成环结构，但不包括 R1 和 R2 同时为甲基的情况。
• METHOD FOR MANUFACTURING 1,3-DIOXANE-5-ONE
  申请人：Kao Corporation

  公开号：EP3564228A1

  公开（公告）日：2019-11-06

  The present invention relates to a method for producing a 1,3-dioxan-5-one by a short-step and simple method from raw materials that are procurable easily and inexpensively, using, as a raw material, a 1,3-dioxane that is a mixture containing a 1,3-dioxolane. Provided is a method for producing a 1,3-dioxan-5-one, including using a mixture of a compound represented by the following formula (I) and a compound represented by the following formula (II) as a raw material, the method including a step of oxidizing the mixture under an oxidative esterification condition (step 2): wherein, in the formulae (I) and (II), R1 and R2 each independently represent a hydrogen atom or a monovalent hydrocarbon group, or R1 and R2 are bonded to each other to form a divalent hydrocarbon group for constituting a ring structure.

  本发明涉及一种利用容易获得且价格低廉的原料，通过短步骤简单方法生产1,3-二氧杂环戊-5-酮的方法，该方法以含有1,3-二氧戊环的1,3-二氧杂环戊-5-酮混合物为原料。本发明提供了一种生产 1，3-二氧戊环-5-酮的方法，包括使用下式（I）代表的化合物和下式（II）代表的化合物的混合物作为原料，该方法包括在氧化酯化条件下氧化该混合物的步骤（步骤 2）： 其中，在式 (I) 和 (II) 中，R1 和 R2 各自独立地代表一个氢原子或一个一价烃基，或 R1 和 R2 相互键合形成一个二价烃基，以构成环状结构。
• Method for producing glyceric acid ester
  申请人：KAO CORPORATION

  公开号：US10822329B2

  公开（公告）日：2020-11-03

  The present invention relates to providing a novel glyceric acid ester which can be produced in a high yield and is expected to be applied as a synthetic intermediate, and a method of producing the same. In addition, the present invention relates to providing a novel glyceric acid ester which exhibits a high recovery in a water-washing step after the reaction and a small work load at the time of production, and is expected to be applied as a synthetic intermediate, and a method of producing the same. The present invention provides a method of producing a compound represented by the following formula (II), including a step of oxidatively esterifying a compound represented by the following formula (I): wherein, in the formulae (I) and (II), R1 and R2 each independently represent a hydrogen atom or a monovalent hydrocarbon group, or R1 and R2 are bonded to each other to form a divalent hydrocarbon group for constituting a ring structure, provided that the case where R1 and R2 are a methyl group at the same time is excluded.

  本发明涉及提供一种新型甘油酸酯，该甘油酸酯可以高产率生产，有望用作合成中间体，本发明还涉及生产该甘油酸酯的方法。此外，本发明还涉及提供一种新型甘油酸酯，该甘油酸酯在反应后的水洗步骤中表现出较高的回收率，且生产时的工作量较小，有望用作合成中间体，以及生产该甘油酸酯的方法。本发明提供了一种生产下式（II）代表的化合物的方法，包括氧化酯化下式（I）代表的化合物的步骤： 其中，在式(I)和(II)中，R1和R2各自独立地代表氢原子或一价烃基，或者R1和R2相互键合形成二价烃基，以构成环状结构，但不包括R1和R2同时为甲基的情况。
• Method for manufacturing 1,3-dioxane-5-one
  申请人：KAO CORPORATION

  公开号：US10870643B2

  公开（公告）日：2020-12-22

  The present invention relates to a method for producing a 1,3-dioxan-5-one by a short-step and simple method from raw materials that are procurable easily and inexpensively, using, as a raw material, a 1,3-dioxane that is a mixture containing a 1,3-dioxolane. Provided is a method for producing a 1,3-dioxan-5-one, including using a mixture of a compound represented by the following formula (I) and a compound represented by the following formula (II) as a raw material, the method including a step of oxidizing the mixture under an oxidative esterification condition (step 2): wherein, in the formulae (I) and (II), R1 and R2 each independently represent a hydrogen atom or a monovalent hydrocarbon group, or R1 and R2 are bonded to each other to form a divalent hydrocarbon group for constituting a ring structure.

  本发明涉及一种利用容易获得且价格低廉的原料，通过短步骤简单方法生产1,3-二氧杂环戊-5-酮的方法，该方法以含有1,3-二氧戊环的1,3-二氧杂环戊-5-酮混合物为原料。本发明提供了一种生产 1，3-二氧戊环-5-酮的方法，包括使用下式（I）代表的化合物和下式（II）代表的化合物的混合物作为原料，该方法包括在氧化酯化条件下氧化该混合物的步骤（步骤 2）： 其中，在式 (I) 和 (II) 中，R1 和 R2 各自独立地代表一个氢原子或一个一价烃基，或 R1 和 R2 相互键合形成一个二价烃基，以构成环状结构。