4-丁氧基-2-甲基苯甲酸 | 175153-56-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-丁氧基-2-甲基苯甲酸
• 英文名称: 4-butoxy-2-methylbenzoic acid
• CAS: 175153-56-7
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: POVRQOIEHGXWHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  335.8±22.0 °C(Predicted)
• 密度：
  1.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-丁氧基-2-甲基苯甲酸 、 2,5-双(4-羟基苯基)-1,3,4-噁二唑 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到OC4-2MePh(ODBP)
  参考文献：
  名称：

  Towards Room Temperature Biaxial Nematics

  摘要：

  A series of new liquid crystalline compounds based on the 2,5-bis(p-hydroxyphenyl)-1,3,4-oxadiazole (ODBP) core was synthesized in an effort to access the biaxial nematic phase at low temperatures. Derivatives with secondary terminal alkoxy groups and derivatives with either two or four lateral methyl groups were prepared. Secondary alkoxy terminal groups either suppressed mesophase formation altogether or increased the nematic onset temperature relative to primary groups. The dimethylated derivatives showed significant reductions in the nematic onset temperatures compared to the previously reported unmethylated compounds. The tetramethylated analogs generally possessed low clearing temperatures, but exhibited only monotropic mesomorphism.

  DOI：

  10.1080/15421400903053826
• 作为产物：
  描述：

  碘甲烷 在 四甲基乙二胺 、 仲丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.0h， 生成 4-丁氧基-2-甲基苯甲酸
  参考文献：
  名称：

  WO2007/93366

  摘要：

  公开号：

文献信息

• Low nematic onset temperatures and room temperature cybotactic behavior in 1,3,4-oxadiazole-based bent-core mesogens possessing lateral methyl groups
  作者：Frank Speetjens、Jane Lindborg、Tatum Tauscher、Nikki LaFemina、Jason Nguyen、Edward T. Samulski、Francesco Vita、Oriano Francescangeli、Eric Scharrer

  DOI：10.1039/c2jm33705c

  日期：——

  As part of our efforts to access the biaxial nematic phase at low temperatures, we prepared a series of 1,3,4-oxadiazole-based bent-core mesogens that possess either one or three lateral methyl groups. The phase behavior of these derivatives was characterized using polarizing microscopy and differential scanning calorimetry. Target compounds containing one methyl group showed large nematic ranges but relatively high clearing points. The derivatives with three methyl substituents showed lower nematic onset temperatures and two of these compounds supercooled in the nematic phase to room temperature. X-ray diffraction experiments confirmed the presence of cybotactic clusters in the nematic phase, as observed in other bent-core mesogens. However, for two of these derivatives, cybotaxis persists at room temperature, due to the formation of a glassy nematic phase at low temperatures. These results suggest that these materials could be promising candidates in the search for low temperature biaxial thermotropic nematics.

  作为我们在低温下获得双轴向列相的努力的一部分，我们制备了一系列具有一个或三个侧甲基的1,3,4-恶二唑基弯曲核介晶。使用偏光显微镜和差示扫描量热法表征这些衍生物的相行为。含有一个甲基的目标化合物显示出较大的向列范围，但清亮点相对较高。具有三个甲基取代基的衍生物表现出较低的向列相起始温度，并且其中两种化合物在向列相中过冷至室温。 X 射线衍射实验证实了向列相中存在胞规簇，正如在其他弯曲核介晶中观察到的那样。然而，对于其中两种衍生物，由于在低温下形成玻璃态向列相，细胞趋向性在室温下持续存在。这些结果表明这些材料可能是寻找低温双轴热致向列相的有希望的候选材料。
• NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：SCHWINK Lothar

  公开号：US20090264403A1

  公开（公告）日：2009-10-22

  The invention relates to azacyclyl-substituted aryldihydroisoquinolinones and their derivatives, and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one azacyclyl-substituted aryldihydroisoquinolinone of the invention or its derivative, and the use of the azacyclyl-substituted aryidihydroisoquinolinones of the invention and their derivatives as MCH antagonists.

  本发明涉及含氮杂环取代的芳基二氢异喹啉酮及其衍生物、其生理上可耐受的盐和生理功能衍生物、其制备方法、包含本发明中至少一种含氮杂环取代的芳基二氢异喹啉酮或其衍生物的药物以及将本发明中的含氮杂环取代的芳基二氢异喹啉酮及其衍生物用作MCH拮抗剂。
• NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：SCHWINK Lothar

  公开号：US20090082391A1

  公开（公告）日：2009-03-26

  The invention relates to aminoalcohol-substituted aryldihydroisoquinolinones and their derivatives, and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one aminoalcohol-substituted aryldihydroisoquinolinone of the invention or its derivative, and the use of the aminoalcohol-substituted aryldihydroisoquinolinones of the invention and their derivatives as MCH antagonists.

  本发明涉及氨基醇取代的芳基二氢异喹啉酮及其衍生物，以及其生理耐受盐和生理功能衍生物、其制备方法、至少包含本发明中的一种氨基醇取代的芳基二氢异喹啉酮或其衍生物的药物，以及将本发明中的氨基醇取代的芳基二氢异喹啉酮及其衍生物用作MCH拮抗剂的用途。
• Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments
  申请人：Schwink Lothar

  公开号：US08501771B2

  公开（公告）日：2013-08-06

  The invention relates to aminoalcohol-substituted aryldihydroisoquinolinones and their derivatives, and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one aminoalcohol-substituted aryldihydroisoquinolinone of the invention or its derivative, and the use of the aminoalcohol-substituted aryldihydroisoquinolinones of the invention and their derivatives as MCH antagonists.

  本发明涉及氨基醇取代的芳基二氢异喹啉酮及其衍生物，以及其生理上耐受的盐和生理学功能衍生物，其制备，包含本发明中至少一种氨基醇取代的芳基二氢异喹啉酮或其衍生物的药物，以及将本发明中的氨基醇取代的芳基二氢异喹啉酮及其衍生物用作MCH拮抗剂的用途。
• Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments
  申请人：Schwink Lothar

  公开号：US08822495B2

  公开（公告）日：2014-09-02

  The invention relates to azacyclyl-substituted aryldihydroisoquinolinones and their derivatives, and their physiologically tolerated salts and physiologically functional derivatives, their preparation, medicaments comprising at least one azacyclyl-substituted aryldihydroisoquinolinone of the invention or its derivative, and the use of the azacyclyl-substituted aryldihydroisoquinolinones of the invention and their derivatives as MCH antagonists.

  本发明涉及含氮杂环取代的芳基二氢异喹啉酮及其衍生物，其生理耐受盐和生理功能衍生物，其制备方法，至少包括本发明中的一种含氮杂环取代的芳基二氢异喹啉酮或其衍生物的药物，以及将本发明中的含氮杂环取代的芳基二氢异喹啉酮及其衍生物用作MCH拮抗剂。