2-hexadecyl-hydroquinone | 4595-26-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-hexadecyl-hydroquinone
• 英文别名: 2.5-Dihydroxy-1-hexadecyl-benzol；2-Hexadecyl-hydrochinon；2-hexadecylbenzene-1,4-diol；Hexadecylhydroquinone；1,4-Benzenediol, 2-hexadecyl-
• CAS: 4595-26-0
• 化学式: C₂₂H₃₈O₂
• 分子量: 334.543
• InChiKey: MKJMXPFTCHYBRV-UHFFFAOYSA-N

物化性质

• 熔点：
  110-111 °C(Solv: benzene (71-43-2))
• 沸点：
  473.9±25.0 °C(Predicted)
• 密度：
  0.955±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  24
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2907299090

反应信息

• 作为反应物：
  描述：

  2-hexadecyl-hydroquinone 在 氯 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 生成 2,3,5-Trichloro-6-hexadecylcyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Hydrophobic Acceleration of Electron Transfer Processes

  摘要：

  Electron transfer processes between 1-alpha-naphthyl-3-oxa-alkanes (1-n, n = 1, 8, 12, 16) and 2-alkyl-3,5,6-trichloro-1,4-benzoquinones (2-n, n = 8, 12, 16) facilitated by hydrophobic-lipophilic interactions (HLI) have been investigated by means of fluorescence spectroscopy in dioxane-H2O systems of different psi values, where psi is the volume fraction of the organic component of an aquiorgano mixture. Three lines of evidence, namely, EPR, UV-vis, and fluorescence quenching, indicate that electron transfer between 1-12 and 2-12 has occurred. Furthermore, both UV-vis evidence and the near constancy of the life time tau of 1-12* in the presence of different concentrations of the quencher 2-12 show that the electron transfer is preceded by preassociation, i.e., the quenching process is static. Therefore, the extent of HLI-driven coaggregation (preassociation) between the donors and the accepters may be assessed from the Stern-Volmer slopes (Ksv). The chain-length effect, and possibly also a chain-foldability effect, has been observed. A notable observation is the importance of solvent aggregating power (SAgP) effect, which is indicated by the surge of Ksv values at psi less than or equal to 0.40 (dioxane-H2O) for monomeric 1-12.

  DOI：

  10.1021/jo960249s
• 作为产物：
  描述：

  1,4-二乙氧基-2-十六烷基-苯 在 氢溴酸 、 溶剂黄146 作用下， 生成 2-hexadecyl-hydroquinone
  参考文献：
  名称：

  136.一些烷基喹诺酚和相关化合物

  摘要：

  DOI：

  10.1039/jr9420000659

文献信息

• Novel Cytotoxic, Alkylated Hydroquinones from <i>Lannea welwitschii</i>
  作者：Amiram Groweiss、John H. Cardellina、Lewis K. Pannell、Duangchan Uyakul、Yoel Kashman、Michael R. Boyd

  DOI：10.1021/np960435t

  日期：1997.2.1

  Two novel natural products, lanneaquinol (1) and 2'(R)-hydroxylanneaquinol (2), were isolated from the organic extract of the plant Lannea welwitschii (Hiern) Engl. Their structures were solved by spectroanalytical methods and confirmed by comparison to synthetic models. The absolute configuration of 2 was determined by the modified Mosher method. Both compounds exhibited modest cytotoxicity against

  从植物Lannea welwitschii（Hiern）Engl的有机提取物中分离出了两种新颖的天然产物羊毛脂（1）和2'（R）-羟基羊毛脂（2）。通过光谱分析方法解析了它们的结构，并通过与合成模型进行比较来证实了它们的结构。2的绝对构型通过改进的Mosher方法确定。两种化合物均对60种人类肿瘤细胞系的NCI组显示出适度的细胞毒性。还阐明了两个异构的4,5-二羟基-5-烷基-2-环己烯酮（7和8）的结构，它们似乎是1和2的生物遗传前体。
• Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same
  申请人：Luu Bang

  公开号：US20090036542A1

  公开（公告）日：2009-02-05

  The present invention provides compounds represented by formula (1) shown below: (wherein R 1 , R 2 , R 3 , R 4 , and R 5 are each individually selected from among a hydrogen atom, methyl group, acetyl group, hydroxyl group, and alkoxy group; and X represents an alkylene group or alkenylene group); and compounds represented by formula (2) shown below: (wherein R 6 , R 7 , R 8 , R 9 , and R 10 are each individually selected from among a hydrogen atom, alkyl group, acetyl group, hydroxyl group, and alkoxy group; A represents an oxygen atom or NH, and m is 0 or 1; and Y represents an alkylene group or alkenylene group, and Z represents a hydrogen atom or hydroxyl group). The compounds of the present invention are useful for preventing or treating brain dysfunctions, motor dysfunctions, or urinary dysfunctions caused by the degeneration and/or loss of the central nervous system or peripheral nervous system cells.

  本发明提供以下式子（1）所示的化合物：（其中R1、R2、R3、R4和R5分别从氢原子、甲基基团、乙酰基团、羟基团和烷氧基中各自选择；X代表烷基或烯基）；以及以下式子（2）所示的化合物：（其中R6、R7、R8、R9和R10分别从氢原子、烷基、乙酰基团、羟基团和烷氧基中各自选择；A代表氧原子或NH，m为0或1；Y代表烷基或烯基，Z代表氢原子或羟基）。本发明的化合物对于预防或治疗由中枢神经系统或外周神经系统细胞的退化和/或丧失引起的脑功能障碍、运动功能障碍或尿功能障碍是有用的。
• HYDROQUINONE LONG-CHAIN DERIVATIVE AND/OR PHENOXY LONG-CHAIN DERIVATIVE, AND PHARMACEUTICAL PREPARATION COMPRISING THE SAME
  申请人：Meiji Dairies Corporation

  公开号：EP1854777A1

  公开（公告）日：2007-11-14

  The present invention provides compounds represented by formula (1) shown below: (wherein R1, R2, R3, R4, and R5 are each individually selected from among a hydrogen atom, methyl group, acetyl group, hydroxyl group, and alkoxy group; and X represents an alkylene group or alkenylene group); and compounds represented by formula (2) shown below: (wherein R6, R7, R8, R9, and R10 are each individually selected from among a hydrogen atom, alkyl group, acetyl group, hydroxyl group, and alkoxy group; A represents an oxygen atom or NH, and m is 0 or 1; and Y represents an alkylene group or alkenylene group, and Z represents a hydrogen atom or hydroxyl group). The compounds of the present invention are useful for preventing or treating brain dysfunctions, motor dysfunctions, or urinary dysfunctions caused by the degeneration and/or loss of the central nervous system or peripheral nervous system cells.

  本发明提供了由下式（1）代表的化合物： (其中 R1、R2、R3、R4 和 R5 各自单独选自氢原子、甲基、乙酰基、羟基和烷氧基；X 代表亚烷基或烯基）；以及 下式（2）所代表的化合物： (其中 R6、R7、R8、R9 和 R10 各自单独选自氢原子、烷基、乙酰基、羟基和烷氧基；A 代表氧原子或 NH，m 为 0 或 1；Y 代表亚烷基或烯基，Z 代表氢原子或羟基）。 本发明的化合物可用于预防或治疗由中枢神经系统或周围神经系统细胞变性和/或丧失引起的大脑功能障碍、运动功能障碍或泌尿系统功能障碍。
• Long-chain trimethoxyphenylalkanol derivatives, and pharmaceuticals comprising the same
  申请人：Meiji Co., Ltd.

  公开号：EP2418191A1

  公开（公告）日：2012-02-15

  The present invention provides compounds of the following formula (2), a pharmaceutically acceptable salt thereof, or a solvate or hydrate thereof: wherein Y is an alkylene group with 10 to 20 carbons The compounds of the present invention are useful as antioxidants.

  本发明提供下式（2）化合物、其药学上可接受的盐或其溶液或水合物： 其中 Y 是含 10 至 20 个碳原子的亚烷基 本发明的化合物可用作抗氧化剂。
• Asano; Hase, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1940, vol. 60, p. 650,658
  作者：Asano、Hase

  DOI：——

  日期：——