2-(4-decyloxyphenyl)-acetic acid methyl ester | 97067-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-decyloxyphenyl)-acetic acid methyl ester
• 英文别名: 4-Decyloxybenzeneacetic acid methyl ester；methyl 2-(4-decoxyphenyl)acetate
• CAS: 97067-78-2
• 化学式: C₁₉H₃₀O₃
• 分子量: 306.445
• InChiKey: CPDBCXGAOSZHIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-decyloxyphenyl)-acetic acid methyl ester 在 sodium hydroxide 、 水 作用下， 反应 2.0h， 以5.83 g的产率得到2-(4-decyloxyphenyl)acetic acid
  参考文献：
  名称：

  Mesogens based on palladium orthometallated complexes with carboxylato bridges: tuning and shaping a non-planar molecule

  摘要：

  The binuclear cyclopalladated compounds [Pd-2(mu-OH)(2)(L-n)(2)] (1) derived from imines HLn = p-CnH2n+1O-C6H4-CH=N-C6H4-OCnH2n+1-p(n = 6,10) react with carboxylic acids to give the derivatives [Pd-2(mu-ox)(2)(L-n)(2)] (2) with a planar core for oxalic acid, and [Pd-2(mu-OOCR)(2)(L-n)(2)] (3-7) compounds with a non-planar ridge tent structure for other RCOOH acids: (3) R = CmH2m+1 (m = 1, 3, 5, 7, 9, 11, 13, 15, 17); (4) R = CH2(OCH2CH2)(p)OCH3 (p = 1, 2); (5) R = CH2-C6H4-OCqH2q+1-p(q = 2, 4, 6, 8, 10, 12); (6) R = C6H4-OCrH2r+1-p(r = 4, 10); (7) R = C*H(OH)CH3. The acids used were designed to explore the effect on the thermal properties of the compounds prepared of systematic variations in the type of carboxylato ligand, which induce structure, packing, and polarity changes, and in the length of the carboxylato chain. Most of the complexes prepared, even when far from planar, show liquid crystal behavior and display nematic, smectic A and smectic C phases. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.09.024
• 作为产物：
  描述：

  对羟基苯乙酸 在 硫酸 、 potassium carbonate 作用下， 以 二甲基亚砜 、 丙酮 为溶剂， 反应 25.0h， 生成 2-(4-decyloxyphenyl)-acetic acid methyl ester
  参考文献：
  名称：

  Mesogens based on palladium orthometallated complexes with carboxylato bridges: tuning and shaping a non-planar molecule

  摘要：

  The binuclear cyclopalladated compounds [Pd-2(mu-OH)(2)(L-n)(2)] (1) derived from imines HLn = p-CnH2n+1O-C6H4-CH=N-C6H4-OCnH2n+1-p(n = 6,10) react with carboxylic acids to give the derivatives [Pd-2(mu-ox)(2)(L-n)(2)] (2) with a planar core for oxalic acid, and [Pd-2(mu-OOCR)(2)(L-n)(2)] (3-7) compounds with a non-planar ridge tent structure for other RCOOH acids: (3) R = CmH2m+1 (m = 1, 3, 5, 7, 9, 11, 13, 15, 17); (4) R = CH2(OCH2CH2)(p)OCH3 (p = 1, 2); (5) R = CH2-C6H4-OCqH2q+1-p(q = 2, 4, 6, 8, 10, 12); (6) R = C6H4-OCrH2r+1-p(r = 4, 10); (7) R = C*H(OH)CH3. The acids used were designed to explore the effect on the thermal properties of the compounds prepared of systematic variations in the type of carboxylato ligand, which induce structure, packing, and polarity changes, and in the length of the carboxylato chain. Most of the complexes prepared, even when far from planar, show liquid crystal behavior and display nematic, smectic A and smectic C phases. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.09.024

文献信息

• Photoelectric Conversion Material, Method For Producing The Same, And Organic Photovoltaic Cell Containing The Same
  申请人：HONDA MOTOR CO., LTD.

  公开号：US20150034880A1

  公开（公告）日：2015-02-05

  A bulk heterojunction-type organic photovoltaic cell, i.e., BHJ solar cell, has a photoelectric conversion layer containing a mixture of a donor domain and an acceptor domain. The donor domain contains a polymer as a donor (photoelectric conversion material), and the polymer is obtained by reaction of a polyphenylene represented by the following general formula (1). For example, the acceptor domain contains phenyl-C 61 -butyric acid methyl ester (PCBM) as an acceptor. At least one of R1 to R6 in the general formula (1) is an alkoxy group, and R7 to R10 independently represent a hydrogen atom, an alkyl group, or an alkoxy group.

  一种大面积异质结型有机光伏电池，即BHJ太阳能电池，具有包含给体区域和受体区域混合物的光电转换层。给体区域包含聚合物作为给体（光电转换材料），该聚合物是通过以下通式（1）所代表的聚苯乙烯的反应获得的。例如，受体区域包含苯基-C61-丁酸甲酯（PCBM）作为受体。在通式（1）中，R1至R6中至少有一个是烷氧基，而R7至R10独立地表示氢原子、烷基或烷氧基。
• PHOTOELECTRIC CONVERSION MATERIAL, METHOD FOR PRODUCING THE SAME, AND ORGANIC PHOTOVOLTAIC CELL CONTAINING THE SAME
  申请人：HONDA MOTOR CO., LTD.

  公开号：US20150059854A1

  公开（公告）日：2015-03-05

  In a BHJ solar cell, a photoelectric conversion layer contains a condensed carbocyclic ring polymer (photoelectric conversion material). The condensed carbocyclic ring polymer is obtained by polymerizing monomers represented by the following general formulae (1) and (2) to prepare a polyphenylene and then reacting the polyphenylene. R1 to R6 in the general formula (1) independently represent a hydrogen atom or a solubilizing group, and the monomer represented by the general formula (1) exhibits a higher solubility in an organic solvent with the solubilizing group than without the solubilizing group. Ar in the general formula (2) represents an unsubstituted or substituted aromatic group, and R7 and R8 in the general formula (2) independently represent a hydrogen atom, an unsubstituted or substituted aromatic group, a methyl group, or a silyl group.

  在BHJ太阳能电池中，光电转换层包含一种含有凝聚的碳环多环聚合物（光电转换材料）的层。这种凝聚的碳环多环聚合物是通过聚合由以下通式（1）和（2）表示的单体来制备聚苯基，然后反应聚苯基得到的。通式（1）中的R1至R6独立地表示氢原子或溶解基团，而通式（1）表示的单体在带有溶解基团的有机溶剂中比不带溶解基团的有机溶剂具有更高的溶解度。通式（2）中的Ar表示未取代或取代的芳香族基团，而通式（2）中的R7和R8独立地表示氢原子、未取代或取代的芳香族基团、甲基或硅基团。
• Photoelectric conversion material, method for producing the same, and organic photovoltaic cell containing the same
  申请人：HONDA MOTOR CO., LTD.

  公开号：US09263688B2

  公开（公告）日：2016-02-16

  In a BHJ solar cell, a photoelectric conversion layer contains a condensed carbocyclic ring polymer (photoelectric conversion material). The condensed carbocyclic ring polymer is obtained by polymerizing monomers represented by the following general formulae (1) and (2) to prepare a polyphenylene and then reacting the polyphenylene. R1 to R6 in the general formula (1) independently represent a hydrogen atom or a solubilizing group, and the monomer represented by the general formula (1) exhibits a higher solubility in an organic solvent with the solubilizing group than without the solubilizing group. Ar in the general formula (2) represents an unsubstituted or substituted aromatic group, and R7 and R8 in the general formula (2) independently represent a hydrogen atom, an unsubstituted or substituted aromatic group, a methyl group, or a silyl group.

  在BHJ太阳能电池中，光电转换层包含一种含有紧凑的碳环聚合物（光电转换材料）的光电转换层。该紧凑的碳环聚合物是通过聚合以下通式（1）和（2）所代表的单体制备聚苯乙烯，然后反应聚苯乙烯得到的。通式（1）中的R1至R6独立地表示氢原子或溶解基团，通式（1）所代表的单体在具有溶解基团的有机溶剂中比没有溶解基团的有机溶剂具有更高的溶解度。通式（2）中的Ar表示未取代或取代芳香族基团，通式（2）中的R7和R8独立地表示氢原子、未取代或取代芳香族基团、甲基或硅基团。
• US4668705A
  申请人：——

  公开号：US4668705A

  公开（公告）日：1987-05-26
• US9145468B2
  申请人：——

  公开号：US9145468B2

  公开（公告）日：2015-09-29