[3-Methyl-4-[4-[6-(oxan-2-yloxy)hexoxy]benzoyl]oxyphenyl] 4-[6-(oxan-2-yloxy)hexoxy]benzoate | 850373-83-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [3-Methyl-4-[4-[6-(oxan-2-yloxy)hexoxy]benzoyl]oxyphenyl] 4-[6-(oxan-2-yloxy)hexoxy]benzoate
• CAS: 850373-83-0
• 化学式: C₄₃H₅₆O₁₀
• 分子量: 732.912
• InChiKey: MCTMCQJADWJQEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  833.6±65.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  53
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [3-Methyl-4-[4-[6-(oxan-2-yloxy)hexoxy]benzoyl]oxyphenyl] 4-[6-(oxan-2-yloxy)hexoxy]benzoate 在 盐酸 作用下， 以 丙酮 为溶剂， 反应 5.0h， 生成 [4-[4-(6-Hydroxyhexoxy)benzoyl]oxy-3-methylphenyl] 4-(6-hydroxyhexoxy)benzoate
  参考文献：
  名称：

  JP2005/112850

  摘要：

  公开号：
• 作为产物：
  描述：

  4-((6-((tetrahydro-2H-pyran-2-yl)oxy)hexyl)oxy)benzoic acid 、 甲基氢醌 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 [3-Methyl-4-[4-[6-(oxan-2-yloxy)hexoxy]benzoyl]oxyphenyl] 4-[6-(oxan-2-yloxy)hexoxy]benzoate
  参考文献：
  名称：

  JP2005/112850

  摘要：

  公开号：

文献信息

• [EN] GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS GAMMA-AMINOAMIDES DE L'ACTIVITE DE RECEPTEUR DE CHIMIOKINE
  申请人：MERCK & CO INC

  公开号：WO2004041279A1

  公开（公告）日：2004-05-21

  The present invention is directed to compounds of the formula (I), wherein R1, R2, R3, R4, R5, R6, R7, R8, R11, R12, W, X, and n are defined herein, which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

  本发明涉及式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R11、R12、W、X和n在此处定义，这些化合物可用作趋化因子受体活性的调节剂。特别是，这些化合物可用作趋化因子受体CCR-2的调节剂。
• MESOGENIC STABILIZERS
  申请人：XU Ruisong

  公开号：US20120003401A1

  公开（公告）日：2012-01-05

  The present invention relates to compounds represented by the following Formula I, in which R 1 -R 6 can each independently be selected from hydrogen or hydrocarbyl (e.g., methyl); L 1 is a divalent linking group, such as a bond or —OC(O)—R 8 —C(O)O—, where R 8 can be divalent hydrocarbyl (e.g., —CH 2 CH 2 —); each L 2 independently represents a flexible segment, such as divalent linear or branched C 1 -C 25 alkyl; each L 3 independently represents a rigid segment including, for example, optionally substituted phenylen-1,4-diyl groups; t is from 1 to 4; m and p are each independently from 0 to 4 for each t, provided that the sum of m and p is at least 1 for each t; and E can be hydrogen or hydrocarbyl. The present invention also relates to compositions, such as liquid crystal compositions, and articles, such as optical elements, that include the compound represented by Formula I.
• US8349210B2
  申请人：——

  公开号：US8349210B2

  公开（公告）日：2013-01-08
• US8613868B2
  申请人：——

  公开号：US8613868B2

  公开（公告）日：2013-12-24
• [EN] MESOGENIC STABILIZERS<br/>[FR] STABILISANTS MÉSOGÈNES
  申请人：TRANSITIONS OPTICAL INC

  公开号：WO2013022605A1

  公开（公告）日：2013-02-14

  The present invention relates to compounds represented by the following Formula I, in which R1-R6 can each independently be selected from hydrogen or hydrocarbyl (e.g., methyl); L1 is a divalent linking group, such as a bond or -OC(O)-R8-C(O)O, where R8 can be divalent hydrocarbyl (e.g., -CH2CH2-); each L2 independently represents a flexible segment, such as divalent linear or branched C1-C25 alkyl; each L3 independently represents a rigid segment including, for example, optionally substituted phenylen-1,4-diyl groups; t is from 1 to 4; m and p are each independently from 0 to 4 for each t, provided that the sum of m and p is at least 1 for each t; and E can be hydrogen or hydrocarbyl. The present invention also relates to compositions and articles that include the compound represented by Formula I.