2-isopropenylcyclohex-1-ene-1-carbaldehyde | 905977-51-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-isopropenylcyclohex-1-ene-1-carbaldehyde
• 英文别名: 2-Prop-1-en-2-ylcyclohexene-1-carbaldehyde；2-prop-1-en-2-ylcyclohexene-1-carbaldehyde
• CAS: 905977-51-7
• 化学式: C₁₀H₁₄O
• 分子量: 150.221
• InChiKey: WRIDLKXHCTXTMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-isopropenylcyclohex-1-ene-1-carbaldehyde 在 platinum(II) chloride 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以83%的产率得到3-methyl-2,4,5,6,7,7a-hexahydro-inden-1-one
  参考文献：
  名称：

  Metal-Catalyzed Chemoselective Cycloisomerization of cis-2,4-Dien-1-als to 3-Cyclopentenones and 4-Alkylidene-3,4-dihydro-2H-pyrans

  摘要：

  [GRAPHICS]PtCl2 (5 mol %) catalyst effected cycloisomerization of cis-2,4-dien-1-al (1) to 3-cyclopentenone (3) efficiently in hot toluene. In the presence of p-TSA, this PtCl2 catalysis gave 2-cyclopentenone (5) exclusively because of the secondary isomerization reaction. Although the 1-2 equilibrium state greatly favors aldehyde (1), PdCl2(PhCN)(2)(5 mol %) catalyzed cycloisomerization of aldehyde (1) to 4,6,7,8-tetrahydro-3H-isochromene (4) smoothly in hot toluene. A plausible mechanism is proposed on the basis of reaction observation and isotope-labeled experiment.

  DOI：

  10.1021/ol061248h
• 作为产物：
  描述：

  、 N,N-二甲基甲酰胺 在 叔丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.5h， 生成 2-isopropenylcyclohex-1-ene-1-carbaldehyde
  参考文献：
  名称：

  金和铂催化的cis-4,6-Dien-1-yn-3-ols环异构化的骨架重排：频哪醇重排和双环[4.1.0]庚烯酮和重组苯乙烯衍生物的形成

  摘要：

  在金和铂催化剂的作用下，cis-4,6-dien-1-yn-3-ols 会发生环异构化，从而能够化学选择性地对环化产物进行结构重组。AuCl3 催化的 6-取代 cis-4,6-dien-1-yn-3-ols 环化反应通过 6-exo-dig 途径得到烯丙基阳离子，随后经过频哪醇重排产生重组的环戊烯醛产物. 使用手性醇底物，这种环化以合理的手性转移进行。在 PtCl2 催化的 7,7-二取代 cis-4,6-dien-1-yn-3-ols 的环化反应中，我们只获得了双环 [4.1.0] 庚烯酮或重组苯乙烯产物，具有不同的底物结构。基于化学选择性/结构关系，我们提出双环[4.1.0]庚烯酮产物由 6-endo-dig 环化产生，而重组苯乙烯产品来自 5-exo-dig 途径。这种提出的机制得到了理论计算的支持。

  DOI：

  10.1021/ja076175r

文献信息

• Malodor neutralizing composition
  申请人：Levy Mark M.

  公开号：US10004761B2

  公开（公告）日：2018-06-26

  A composition suitable for treating a variety of medical, aesthetic and cosmetic conditions in mucous membranes and occluded skin areas, comprising hyaluronic acid, N-acetylcysteine, an active agent and set to pH of less than 6, which is characterized by high in vivo stability, is disclosed, as well as uses thereof in temporally extended delivery of active agent to mucous membrane in bodily sites.

  本发明公开了一种适用于治疗粘膜和闭塞性皮肤区域的各种医疗、美容和化妆品病症的组合物，该组合物由透明质酸、N-乙酰半胱氨酸、活性剂组成，pH 值设定在 6 以下，具有体内稳定性高的特点，还公开了其在向身体部位的粘膜临时延长输送活性剂方面的用途。
• METHOD OF NEUTRALIZING MALODORS
  申请人：The Procter & Gamble Company

  公开号：US20160129145A1

  公开（公告）日：2016-05-12

  A method of neutralizing malodors by providing a malodor control composition having a mixture of volatile aldehydes is provided. In some embodiments, the malodor control composition includes an acid catalyst.
• MALODOR NEUTRALIZING COMPOSITION
  申请人：LEVY Mark M.

  公开号：US20170360822A1

  公开（公告）日：2017-12-21

  A composition suitable for treating a variety of medical, aesthetic and cosmetic conditions in mucous membranes and occluded skin areas, comprising hyaluronic acid, N-acetylcysteine, an active agent and set to pH of less than 6, which is characterized by high in vivo stability, is disclosed, as well as uses thereof in temporally extended delivery of active agent to mucous membrane in bodily sites.
• US8357359B2
  申请人：——

  公开号：US8357359B2

  公开（公告）日：2013-01-22
• [EN] GELS COMPRISING A HYDROPHOBIC MATERIAL<br/>[FR] GELS COMPRENANT UN MATÉRIAU HYDROPHOBE
  申请人：PROCTER & GAMBLE INT OPERATIONS SA

  公开号：WO2019016706A1

  公开（公告）日：2019-01-24

  The gel compositions as described herein, are less affected by changes in humidity, are readily formed into complex shapes, and can contain high loadings of the hydrophobic material, even when the material is not highly hydrophobic, and provide a more controlled release of the hydrophobic material. It is believed that the slow release is achieved by forming the gel to have a tight cross-linked network with small pore-size. The pore size is correlated to the average correlation length as measured using Small Angle X-Ray Scattering (SAXS). By limiting the average correlation length to less than 8 nm, preferably from 0.3 nm to 8 nm, more preferably from 0.3 nm to 4 nm, a long lasting release of the hydrophobic material is achieved, rather than a blooming effect, whereby the hydrophobic material is released in a short burst.