4-ethylcyclohexane-1-carbonyl chloride | 67589-87-1

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 4-ethylcyclohexane-1-carbonyl chloride
• 英文别名: trans-4-ethylcyclohexane-1-carboxylic acid chloride；4-Ethylcyclohexylcarbonsaeurechlorid
• CAS: 67589-87-1
• 化学式: C₉H₁₅ClO
• 分子量: 174.671
• InChiKey: OBDHUMSKEKYCKR-ZKCHVHJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.97
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  4-ethylcyclohexane-1-carbonyl chloride 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以91%的产率得到trans-4-ethyl-cyclohexanemethanol
  参考文献：
  名称：

  Carr; Gray; McDonnell, Molecular Crystals and Liquid Crystals (1969-1991), 1982, vol. 97, # 1-4, p. 13 - 28

  摘要：

  DOI：
• 作为产物：
  描述：

  对乙基苯甲酸 生成 4-ethylcyclohexane-1-carbonyl chloride
  参考文献：
  名称：

  Deutscher,H.-J. et al., Journal fur praktische Chemie (Leipzig 1954), 1978, vol. 320, p. 191 - 205

  摘要：

  DOI：

文献信息

• Liquid Crystal of Ethyl and Propyl Aromatic Aldehyde with Azo Core and Photosensitivity in Mesophase
  作者：Yong-Sheng Wei、Min-Yan Zheng、Wei Geng、Shan Wang、Yong-Hui Shang

  DOI：10.14233/ajchem.2015.18367

  日期：——

  Eight new stable rod-like aromatic aldehyde liquid crystalline molecules with azo bridge have been prepared, in which single or double six-membered carbon ring carboxylic acid mesogenic cores with shorter alkyl chain of ethyl, n-propyl were condensed with hydroxyl azo benzaldehyde. These compounds have been characterized by their spectral data, DSC and HS-POM. These molecules were expected to exhibit liquid crystal phase so that the influence of UV-light on their textures of mesophase could be detected. The results showed that all these target compounds have the temperature range of mesophase between 101 and 145 °C. After irradiating under UV-light, they exihibited photo-sensitivity not only in methanol but also in mesophase.

  我们制备了八种新的稳定的偶氮桥杆状芳香醛液晶分子，其中单或双六元碳环羧酸中原核具有较短的乙基、正丙基烷基链，并与羟基偶氮苯甲醛缩合。通过光谱数据、DSC 和 HS-POM 对这些化合物进行了表征。预计这些分子会呈现液晶相，因此可以检测紫外光对它们介相质地的影响。结果表明，所有这些目标化合物的介相温度范围都在 101 至 145 ℃ 之间。在紫外线照射下，它们不仅在甲醇中，而且在介相中都表现出光敏感性。
• Palladium-Catalyzed Migratory Insertion of Carbenes and C–C Cleavage of Cycloalkanecarboxamides
  作者：Peng Zhang、Jia Zeng、Ping Pan、Xue-jing Zhang、Ming Yan

  DOI：10.1021/acs.orglett.1c03952

  日期：2022.1.21

  The reaction proceeds via carbene migratory insertion and cascade C–C cleavage pathways. Cycloalkanecarboxamides with four to seven membered rings are applicable in the transformation. A series of ring opening products were prepared with moderate yields. The finding provides valuable clues for the development of new reactions involving carbene migratory insertion and the cleavage of unstrained C(sp3)–C(sp3)

  已经开发了环烷烃甲酰胺和重氮丙二酸酯或双（苯磺酰基）重氮甲烷的钯催化反应。该反应通过卡宾迁移插入和级联 C-C 裂解途径进行。具有四至七元环的环烷烃酰胺可用于转化。以中等收率制备了一系列开环产物。该发现为开发涉及卡宾迁移插入和未应变C(sp 3 )-C(sp 3 )键断裂的新反应提供了有价值的线索。
• [EN] BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS<br/>[FR] BENZIMIDAZOLES ET INDOLES UTILISÉS COMME INHIBITEURS DE TARO
  申请人：MERCK SHARP & DOHME

  公开号：WO2017106134A1

  公开（公告）日：2017-06-22

  Novel compounds of the structural formula I, and the pharmaceutically acceptable salts thereof, are inhibitors of TarO and may be useful in the prevention, treatment and suppression of diseases mediated by TarO, such as bacterial infections, including gram negative bacterial infections and gram positive bacterial infections such as MRSA and MRSE, alone or in combination with a β-lactam antibiotic.

  化学结构式I的新型化合物及其药学上可接受的盐，是TarO的抑制剂，可用于预防、治疗和抑制由TarO介导的疾病，如细菌感染，包括革兰氏阴性细菌感染和革兰氏阳性细菌感染，例如耐甲氧西林金黄色葡萄球菌和耐甲氧西林表皮葡萄球菌，单独或与β-内酰胺类抗生素联合使用。
• Fluorine-substituted liquid-crystal compound, liquid-crystal composition
  申请人：Chisso Corporation

  公开号：US06051288A1

  公开（公告）日：2000-04-18

  An object of the present invention is to provide a novel liquid crystalline compound having a large dielectric anisotropy, small change in threshold voltage depending on temperature, and an improved solubility to other liquid crystal materials at low temperatures, and expressed by the following general formula (1): ##STR1## wherein R represents, for example, an alkyl group or alkoxy group having 1 to 10 carbon atoms, m and n are independently 0 or 1, A.sub.1, A.sub.2, and A.sub.3 are independently, for example, trans-1,4-cyclohexylene group, 1,4-phenylene group one or more hydrogen atoms on the ring of which may be replaced by F, Z.sub.1, Z.sub.2, and Z.sub.3 independently represent --COO--, --OCO--, --(CH.sub.2).sub.2 --, --CH.sub.2 O--, --OCH.sub.2 --, or a covalent bond provided that at least one of Z.sub.1, Z.sub.2, and Z.sub.3 represents ester bond, --CH.sub.2 O--, or --OCH.sub.2 --, X represents, for example, CF.sub.3, CF.sub.2 H, and Y represents H or F. Another object of the present invention is to provide a liquid crystal composition containing the liquid crystalline compound.

  本发明的目的是提供一种新型液晶化合物，具有大的介电各向异性，温度敏感门限电压变化小，且在低温下对其他液晶材料的溶解性提高，其通式如下： 其中，R代表例如1至10个碳原子的烷基或烷氧基，m和n独立地为0或1，A1、A2和A3独立地代表例如反式-1,4-环己亚基、1,4-苯基等，其环上的一个或多个氢原子可以被F取代，Z1、Z2和Z3独立地代表--COO--、--OCO--、--(CH2)2--、-- O--、--O --或共价键，但至少其中一个代表酯键、-- O--或--O --，X代表例如CF3、CF2H，Y代表H或F。本发明的另一个目的是提供一种包含该液晶化合物的液晶组合物。
• FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE
  申请人：CHISSO CORPORATION

  公开号：EP0820976A1

  公开（公告）日：1998-01-28

  An object of the present invention is to provide a novel liquid crystalline compound having a large dielectric anisotropy, small change in threshold voltage depending on temperature, and an improved solubility to other liquid crystal materials at low temperatures, and expressed by the following general formula (1): wherein R represents, for example, an alkyl group or alkoxy group having 1 to 10 carbon atoms, m and n are independently 0 or 1, A1, A2, and A3 are independently, for example, trans-1,4-cyclohexylene group, 1,4-phenylene group one or more hydrogen atoms on the ring of which may be replaced by F, Z1, Z2, and Z3 independently represent -COO-, -OCO-, -(CH2)2-, -CH2O-, -OCH2-, or a covalent bond provided that at least one of Z1, Z2, and Z3 represents ester bond, -CH2O-, or -OCH2-, X represents, for example, CF3, CF2H, and Y represents H or F. Another object of the present invention is to provide a liquid crystal composition containing the liquid crystalline compound.

  本发明的目的是提供一种新型液晶化合物，该化合物具有较大的介电各向异性，阈值电压随温度的变化较小，并且在低温下的溶解性优于其他液晶材料，其通式(1)如下： 其中 R 代表例如具有 1 至 10 个碳原子的烷基或烷氧基，m 和 n 独立地为 0 或 1，A1、A2 和 A3 独立地为例如反式-1,4-环己烯基、1,4-亚苯基，其环上的一个或多个氢原子可被 F 取代、Z1、Z2 和 Z3 独立地代表-COO-、-OCO-、-(CH2)2-、- O-、-O -或共价键，条件是 Z1、Z2 和 Z3 中至少有一个代表酯键、- O-或-O -，X 代表例如 CF3、CF2H，Y 代表 H 或 F。本发明的另一个目的是提供一种含有液晶化合物的液晶组合物。