2-亚苄基壬醛 | 20175-19-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 中文名称: 2-亚苄基壬醛
• 英文名称: Nonanal, 2-(phenylmethylene)-
• 英文别名: 2-benzylidenenonanal
• CAS: 20175-19-3
• 化学式: C₁₆H₂₂O
• 分子量: 230.35
• InChiKey: VXDUTTLHVAAEFQ-UHFFFAOYSA-N

物化性质

• LogP：
  5.376 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2912299000

反应信息

• 作为反应物：
  描述：

  2-亚苄基壬醛 、 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以29%的产率得到
  参考文献：
  名称：

  Design and synthesis of chitin synthase inhibitors as potent fungicides

  摘要：

  Chitin is a structural component of fungal cell walls but is absent in vertebrates, mammals, and humans. Chitin synthase is thus an attractive molecular target for developing fungicides. Based on the structure of its donor substrate, UDP-N-acetyl-glucosamine, as well as the modelled structure of the bacterial chitin synthase NodC, we designed a novel scaffold which was then further optimized into a series of chitin synthase inhibitors. The most potent inhibitor, compound 13, exhibited high chitin synthase inhibitory activity with an IC50 value of 64.5 mu mol/L. All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi, Fusarium graminearum,Botrytis cinerea, and Colletotrichum lagenarium. This work presents a new scaffold which can be used for the development of novel fungicides. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2017.03.030
• 作为产物：
  描述：

  壬醛 、 苯甲醛 在 苄基三乙基氯化铵 、 potassium carbonate 、 caesium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 2-亚苄基壬醛
  参考文献：
  名称：

  Design and synthesis of chitin synthase inhibitors as potent fungicides

  摘要：

  Chitin is a structural component of fungal cell walls but is absent in vertebrates, mammals, and humans. Chitin synthase is thus an attractive molecular target for developing fungicides. Based on the structure of its donor substrate, UDP-N-acetyl-glucosamine, as well as the modelled structure of the bacterial chitin synthase NodC, we designed a novel scaffold which was then further optimized into a series of chitin synthase inhibitors. The most potent inhibitor, compound 13, exhibited high chitin synthase inhibitory activity with an IC50 value of 64.5 mu mol/L. All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi, Fusarium graminearum,Botrytis cinerea, and Colletotrichum lagenarium. This work presents a new scaffold which can be used for the development of novel fungicides. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2017.03.030

文献信息

• Two-tailed surfactants having one aromatic containing tail and their use
  申请人：Mobil Oil Corporation

  公开号：US04517128A1

  公开（公告）日：1985-05-14

  (Branched alkyl)-polyethoxyalkyl sulfonates, and similar compounds wherein the alkyl sulfonate moiety is replaced by a sulfate moiety, having an aromatic group on one of the branches of the branched alkyl group are provided. These compounds are surfactants which are particularly useful for chemical waterflooding, especially in high brine environments.

  提供了一种分支烷基-聚乙氧基烷基磺酸盐和类似化合物，其中烷基磺酸盐部分被硫酸盐部分所替代，且在分支烷基群的其中一个分支上具有芳香基团。这些化合物是表面活性剂，特别适用于化学注水，尤其是在高盐度环境中。
• p -Toluene sulfonic acid (PTSA)-MCM-41 as a green, efficient and reusable heterogeneous catalyst for the synthesis of jasminaldehyde under solvent-free condition
  作者：Venkata Subba Rao Ganga、Sayed H.R. Abdi、Rukhsana I. Kureshy、Noor-ul H. Khan、Hari C. Bajaj

  DOI：10.1016/j.molcata.2016.04.030

  日期：2016.8

  This paper reports the synthesis of p-Toluene sulfonic acid (PTSA)-MCM-41 by impregnation method and its characterization XRD, FT-IR, TGA, N-2 adsorption-desorption isotherms, SEM, and TEM. The impregnated catalysts were used to catalyse cross-aldol condensation of active methylene bearing aliphatic aldehydes with aromatic aldehydes under solvent and metal-free condition particularly in the synthesis perfumery chemical-jasminaldehyde and related compounds. The as synthesized catalyst PTSA-MCM-41 has displayed high efficiency (selectivity up to 91%) in catalyzing cross-aldol condensation reaction and was reusable (5 cycles) with no apparent loss in activity. The catalytic performance of PTSA-MCM-41 was compared with other catalysts viz., ZnO, proline, proline-LDH, PTSA, PTSA-zirconia and PTSA-zeolite where PTSA-MCM-41 showed better performance particularly in synthesis of jasminaldehyde. (c) 2016 Elsevier B.V. All rights reserved.
• Design and synthesis of chitin synthase inhibitors as potent fungicides
  作者：Qi Chen、Ji-Wei Zhang、Lu-Lu Chen、Jun Yang、Xin-Ling Yang、Yun Ling、Qing Yang

  DOI：10.1016/j.cclet.2017.03.030

  日期：2017.6

  Chitin is a structural component of fungal cell walls but is absent in vertebrates, mammals, and humans. Chitin synthase is thus an attractive molecular target for developing fungicides. Based on the structure of its donor substrate, UDP-N-acetyl-glucosamine, as well as the modelled structure of the bacterial chitin synthase NodC, we designed a novel scaffold which was then further optimized into a series of chitin synthase inhibitors. The most potent inhibitor, compound 13, exhibited high chitin synthase inhibitory activity with an IC50 value of 64.5 mu mol/L. All of the inhibitors exhibited antifungal activities against the growth of agriculturally-destructive fungi, Fusarium graminearum,Botrytis cinerea, and Colletotrichum lagenarium. This work presents a new scaffold which can be used for the development of novel fungicides. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.