4-butoxy-3-methylbenzoic acid | 872827-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-butoxy-3-methylbenzoic acid
• CAS: 872827-91-3
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: FNSIISYIZQJFMX-UHFFFAOYSA-N

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-butoxy-3-methylbenzoic acid 在 五氯化磷 作用下， 生成 4-butoxy-3-methyl-benzoyl chloride
  参考文献：
  名称：

  US2404691

  摘要：

  公开号：
• 作为产物：
  描述：

  在 potassium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 18.0h， 以0.66 g的产率得到4-butoxy-3-methylbenzoic acid
  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

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 CYTOTOXIC AGENTS FOR CONJUGATION TO A CELL BINDING MOLECULE
  申请人：HANGZHOU DAC BIOTECH CO., LTD

  公开号：US20160207949A1

  公开（公告）日：2016-07-21

  The present invention is related to novel cytotoxic agents, pyrrolo[2,1-c][1,4]benzodiazepine (PBD) derivatives, their conjugates with a cell-binding agent, the preparation and the therapeutic uses in the targeted treatment of cancers, autoimmune disorders, and infectious diseases.

  本发明涉及一种新型细胞毒性剂，吡咯并[2,1-c][1,4]苯二氮平（PBD）衍生物，其与细胞结合剂的结合物，以及在靶向治疗癌症，自身免疫性疾病和传染病方面的制备和治疗用途。
• Oxazole-based liquid crystals with low temperature nematic phases
  作者：Mary Packard、Katie Gulliford、Eric Scharrer

  DOI：10.1080/15421406.2017.1289588

  日期：2017.4.13

  This paper describes the synthesis and phase behavior of new oxazole containing liquid crystals. These compounds are related to oxadiazole derivatives which show a cybotactic nematic phase. The compounds described here possess a lateral bromo or chloro substituent and, in some cases, lateral methyl groups as well. Derivatives without lateral methyl groups exhibit enantiotropic behavior, while derivatives with lateral methyl groups show only monotropic behavior. However, several of the latter compounds supercool to room temperature in the nematic phase. In addition, the nematic phase of these derivatives retain fluidity to much lower temperatures than was observed for the oxadiazole analogs.
• Towards Room Temperature Biaxial Nematics
  作者：Lori L. Cooper、Edward T. Samulski、Eric Scharrer

  DOI：10.1080/15421400903053826

  日期：2009.9.8

  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.
• US2404691
  申请人：——

  公开号：——

  公开（公告）日：——