4-(butoxymethyl)benzoic acid | 89326-75-0

• 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-(butoxymethyl)benzoic acid
• 英文别名: 4-Butoxymethylbenzoic acid
• CAS: 89326-75-0
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: FEPGKHZMVPLZTI-UHFFFAOYSA-N

物化性质

• 沸点：
  325.8±25.0 °C(Predicted)
• 密度：
  1.092±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  6
• 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-(butoxymethyl)benzoic acid 在 氯化亚砜 、 thallium (I) ethoxide 作用下， 以 苯 为溶剂， 生成 norethisterone 4-butoxymethylbenzoate
  参考文献：
  名称：

  Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids

  摘要：

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.

  DOI：

  10.1016/0039-128x(83)90101-0
• 作为产物：
  描述：

  4-(丁氧基甲基)苯甲酸乙酯 在 sodium hydroxide 作用下， 生成 4-(butoxymethyl)benzoic acid
  参考文献：
  名称：

  Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids

  摘要：

  The synthesis of esters of norethisterone (17 alpha-ethynyl-17 beta-hydroxy-estr-4-en-3-one) with acids containing a benzene ring is described, two methods of esterification being compared in terms of yield and convenience. The activities of these esters as long-acting contraceptive agents have been evaluated.

  DOI：

  10.1016/0039-128x(83)90101-0

文献信息

• Substituted N-aryl heterocycles, process for their preparation and their use as medicaments
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220191A1

  公开（公告）日：2004-11-04

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I 1 in which the radicals have the stated meanings, the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  这项发明涉及取代N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。式I的化合物 1 其中基团具有所述含义，其N-氧化物及其生理耐受盐以及其制备方法被描述。这些化合物例如适用作为厌食剂。
• Ester derivative, liquid crystal composition and liquid crystal display
  申请人：Chisso Corporation

  公开号：US05755994A1

  公开（公告）日：1998-05-26

  A novel liquid crystalline compound having a large dielectric anisotropy value, a small change in the threshold voltage depending upon temperatures, and an improved solubility in other liquid crystal materials at low temperatures, and a liquid crystal composition containing the compound are provided, which liquid crystalline compound is expressed by the formula (1) ##STR1## wherein R is H or an alkyl group of 1 to 10C; l is an integer of 1 to 9; m, n and o are each independently 0 or 1; A.sub.1, A.sub.2 and A.sub.3 are each independently trans-1,4-cyclohexylene group, 1,4-phenylene group, one or more H atoms on the ring of which group may be replaced by F, or the like group; Z.sub.1, Z.sub.2 and Z.sub.3 are each independently --COO--, etc., but at least one of them is --COO--; X is CF.sub.3, etc.; and Y.sub.1, and Y.sub.2 are each independently H or F.

  提供了一种具有大的介电各向异性值、温度变化下阈值电压变化小以及在低温下对其他液晶材料具有改善的溶解度的新型液晶化合物和含有该化合物的液晶组合物，该液晶化合物由式（1）表示： 其中，R为H或1至10C的烷基；l为1至9的整数；m、n和o各自独立地为0或1；A1、A2和A3各自独立地为反-1,4-环己基、1,4-苯基、该基环上的一个或多个氢原子可能被F取代的基或类似基；Z1、Z2和Z3各自独立地为--COO--等，但至少有一个为--COO--；X为CF3等；Y1和Y2各自独立地为H或F。
• Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments
  申请人：Schwink Lothar

  公开号：US20070207991A1

  公开（公告）日：2007-09-06

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  该发明涉及取代的N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。描述了公式I中化合物，其中基团具有所述的含义，以及其N-氧化物和生理耐受盐和其制备方法。这些化合物例如适用于作为抑制食欲的药物。
• Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0357372A2

  公开（公告）日：1990-03-07

  Disclosed are herein optically active ester derivatives represented by the formula (I): (wherein R1 represents an alkyl group having 3 to 20 carbon atoms; R2 represents an optically active alkyl or alkoxyalkyl group having 3 to 15 carbon atoms optionally substituted by halogen atoms; Y represents -O-, -COO- or -OCO-; X represents -COO- or -OCO-; represents a number of 1 or 2; k and m each represents a number of 0 or 1; n represents a numberof 1 to 6), preparation processes therefor, liquid crystal materials containing such easter derivatives as active ingredient, and a light switching element using said liquid crystal materials as liquid crystal element.

  本文公开了由式(I)代表的光学活性酯衍生物： (其中 R1 代表具有 3 至 20 个碳原子的烷基；R2 代表具有 3 至 15 个碳原子的光学活性烷基或烷氧基烷基，可选择被卤素原子取代；Y 代表 -O-、-COO- 或 -OCO-；X 代表 -COO- 或 -OCO-；代表 1 或 2 的数字；k 和 m 分别代表 0 或 1 的数字；n 代表 1 至 6 的数字）、其制备工艺、含有此类酯衍生物作为活性成分的液晶材料，以及使用上述液晶材料作为液晶元件的光开关元件。
• Ester derivate, liquid crystal composition and liquid crystal display element
  申请人：Chisso Corporation

  公开号：EP0738709A2

  公开（公告）日：1996-10-23

  A novel liquid crystalline compound having a large dielectric anisotropy value, a small change in the threshold voltage depending upon temperatures, and an improved solubility in other liquid crystal materials at low temperatures, and a liquid crystal composition containing the compound are provided,    which liquid crystalline compound is expressed by the formula (1) wherein R is H or an alkyl group of 1 to 10C; ℓ is an integer of 1 to 9; m, n and o are each independently 0 or 1; A1, A2 and A3 are each independently trans-1,4-cyclohexylene group, 1,4-pheylene group, one or more H atoms on the ring of which group may be replaced by F, or the like group; Z1, Z2 and Z3 are each independently -COO-, etc., but at least one member of them is -COO-; X is CF3,etc.; and Y1 and Y2 are each independently H or F.

  本发明提供了一种新型液晶化合物，该化合物具有较大的介电各向异性值，阈值电压随温度的变化较小，低温下在其他液晶材料中的溶解性也有所改善，还提供了一种含有该化合物的液晶组合物、 该液晶化合物由式（1）表示 其中 R 是 H 或 1 至 10C 的烷基；ℓ 是 1 至 9 的整数；m、n 和 o 独立地分别是 0 或 1；A1、A2 和 A3 独立地分别是反式-1,4-环己烯基团、1,4-己烯基团、其环上的一个或多个 H 原子可被 F 或类似基团取代；Z1、Z2 和 Z3 独立地分别是-COO-等、但其中至少有一个成员为-COO-；X 为 CF3 等；Y1 和 Y2 各自独立地为 H 或 F。