4-(Butoxymethyl)benzoyl chloride | 89326-64-7

• 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)benzoyl chloride
• CAS: 89326-64-7
• 化学式: C₁₂H₁₅ClO₂
• 分子量: 226.703
• InChiKey: GOMSYKAATAQBRT-UHFFFAOYSA-N

物化性质

• 沸点：
  299.3±23.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  炔诺酮 、 4-(Butoxymethyl)benzoyl chloride 在 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 、 氯化亚砜 作用下， 以 苯 为溶剂， 生成 4-(Butoxymethyl)benzoyl chloride
  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

• 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。
• 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。
• Ester derivative, liquid crystal composition and liquid crystal display element
  申请人：Chisso Corporation

  公开号：EP1010687A2

  公开（公告）日：2000-06-21

  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 represents an alkyl group of 1 to 10 carbon atoms; ℓ represents an integer of 1 to 9; m and n each independently represent 0 or 1; A1, A2 and A3 each independently represent trans-1,4-cyclohexylene group, 1,4-phenylene group or 1,3-dioxane-2,5-diyl group; Z1, Z2 and Z3 each independently represent -COO-, -(CH2)2- or a covalent bond at least one of which represents -COO-; X represents CF3, CF2H, CFH2, OCF3 or OCF2H; Y1 and Y2 each independently represent H or F with the proviso that at least one of Y1 and Y2 is F; provided that when m + n = 1, then Z3 represents -COO-.

  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 代表 1 至 10 个碳原子的烷基；ℓ 代表 1 至 9 的整数；m 和 n 分别独立地代表 0 或 1；A1、A2 和 A3 分别独立地代表反式-1,4-环己烯基、1,4-亚苯基或 1,3-二氧六环-2,5-二基；Z1、Z2 和 Z3 各自独立地代表-COO-、-(CH2)2- 或至少一个代表-COO-的共价键；X 代表 CF3、CF2H、CFH2、OCF3 或 OCF2H；Y1 和 Y2 各自独立地代表 H 或 F，但 Y1 和 Y2 中至少有一个是 F；当 m + n = 1 时，则 Z3 代表-COO-。
• US5755994A
  申请人：——

  公开号：US5755994A

  公开（公告）日：1998-05-26
• Long-acting contraceptive agents: Norethisterone esters of arylcarboxylic acids
  作者：A.S.C. Wan、T.L. Ngiam、S.L. Leung、M.L. Go、P.W.S. Heng、(The Late) P.N. Natarajan、A. Shafiee、M. Vossoghi、F. Savabi、C.G. Francisco、R. Freire、R. Hernandez、J.A. Salazar、E. Suarez、G.A.Garcia De La Mora、Y.Grillasca R.、O. Jimeno

  DOI：10.1016/0039-128x(83)90101-0

  日期：1983.3

  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.