2,2-bis<4-<<3-(hydroxycarbonyl)propyl>oxy>phenyl>propane | 135043-50-4

• 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: 2,2-bis<4-<<3-(hydroxycarbonyl)propyl>oxy>phenyl>propane
• 英文别名: 4,4'-[Isopropylidenebis(p-phenyleneoxy)]dibutanoic acid；4-[4-[2-[4-(3-carboxypropoxy)phenyl]propan-2-yl]phenoxy]butanoic acid
• CAS: 135043-50-4
• 化学式: C₂₃H₂₈O₆
• 分子量: 400.472
• InChiKey: OUPZSDSIDCDXRS-UHFFFAOYSA-N

物化性质

• 沸点：
  633.2±55.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2-bis<4-<<3-(hydroxycarbonyl)propyl>oxy>phenyl>propane 在 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 2,2-dimethyl-4,22-dioxa-9,11,15,17-tetraaza-10,16(2,6)-dipyridina-1,3(1,4),13(1,3)-tribenzenacyclodocosaphane-8,12,14,18-tetraone
  参考文献：
  名称：

  Hydrogen bonding and molecular recognition: synthetic, complexation, and structural studies on barbiturate binding to an artificial receptor

  摘要：

  A series of synthetic receptors with strong selectivity for the barbiturate family of drugs has been prepared. The receptor design is based on two 2,6-diaminopyridine groups linked through an isophthalic acid spacer. X-ray crystallographic, H-1 NMR spectroscopic, and substrate binding studies confirm that six hydrogen bonds are formed between the receptor and its substrate. The strongest binding (K(a) almost-equal-to 10(5) M-1) is seen to those substrates containing the complementary barbituric acid core. Systematic deletion of hydrogen-bonding sites from the receptor and substrate allows an assessment of the contribution of individual binding sites to complexation.

  DOI：

  10.1021/ja00020a027
• 作为产物：
  描述：

  2,2-bis<4-<<3-(ethoxycarbonyl)propyl>oxy>phenyl>propane 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以95%的产率得到2,2-bis<4-<<3-(hydroxycarbonyl)propyl>oxy>phenyl>propane
  参考文献：
  名称：

  Hydrogen bonding and molecular recognition: synthetic, complexation, and structural studies on barbiturate binding to an artificial receptor

  摘要：

  A series of synthetic receptors with strong selectivity for the barbiturate family of drugs has been prepared. The receptor design is based on two 2,6-diaminopyridine groups linked through an isophthalic acid spacer. X-ray crystallographic, H-1 NMR spectroscopic, and substrate binding studies confirm that six hydrogen bonds are formed between the receptor and its substrate. The strongest binding (K(a) almost-equal-to 10(5) M-1) is seen to those substrates containing the complementary barbituric acid core. Systematic deletion of hydrogen-bonding sites from the receptor and substrate allows an assessment of the contribution of individual binding sites to complexation.

  DOI：

  10.1021/ja00020a027

文献信息

• Compound having silsesquioxane skeleton and its polymer
  申请人：Inagaki Jyun-ichi

  公开号：US20050009982A1

  公开（公告）日：2005-01-13

  The present invention relates to a compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, and Q 2 is a group represented by Formula (2) wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, A 1 to A 4 are independently a single bond, 1,4-cyclohexylene, 1,4-cyclohexenylene, a condensed ring group having 6 to 10 carbon atoms which is a divalent group, or 1,4-phenylene, Z 0 to Z 3 are independently a single bond, —CH═CR—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms, and Z 4 is a single bond, —CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms. And Y 1 in Formula (1) is the group defined in Claim 1.

  本发明涉及一种由式（1）表示的化合物和使用该化合物获得的聚合物：其中R1是苯基，可能具有取代基；Q1是氢、卤素、具有1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己基、环己烯基或苯基，其中可选的氢原子可被卤素或具有1至5个碳原子的烷基取代；Q2是由式（2）表示的基团，其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4独立地为单键、1,4-环己亚基、1,4-环己烯亚基、具有6至10个碳原子的缩合环基团，为二价基团，或1,4-苯亚基，Z0至Z3独立地为单键、—CH═CR—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基，Z4为单键、—CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基。式（1）中的Y1是权利要求1中定义的基团。
• Verification of translation
  申请人：Inagaki Jyun-ichi

  公开号：US20070190344A1

  公开（公告）日：2007-08-16

  A compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, Q 2 is a group represented by Formula (2): wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, and A 1 to A 4 , Z 0 to Z 4 and Y 1 are defined in the specification.

  公式（1）所表示的化合物和使用该化合物制得的聚合物：其中R1是苯基，可以有取代基；Q1是氢、卤素、具有1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己烯基或苯基，其中可选氢原子可以被卤素或具有1至5个碳原子的烷基所取代；Q2是由公式（2）表示的基团：其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4、Z0至Z4和Y1在规范中有定义。
• COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER
  申请人：INAGAKI Jyun-ichi

  公开号：US20120178894A1

  公开（公告）日：2012-07-12

  The present invention relates to a compound represented by Formula (1) and a polymer obtained using the compound: wherein R 1 is phenyl which may have substituents, Q 1 is hydrogen, halogen, alkyl having 1 to 10 carbon atoms, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, cyclohexenyl or phenyl in which optional hydrogen may be replaced by halogen or alkyl having 1 to 5 carbon atoms, <—Z 0 A 1 -Z 1  l A 2 -Z 2  m A 3 -Z 3  n A 4  p -Z 4 —  (2) and Q 2 is a group represented by Formula (2): wherein the code < represents a bonding point with silicon, l, m, n and p are independently 0, 1, 2 or 3, A 1 to A 4 are independently a single bond, 1,4-cyclohexylene, 1,4-cyclohexenylene, a condensed ring group having 6 to 10 carbon atoms which is a divalent group, or 1,4-phenylene, Z 0 to Z 3 are independently a single bond, CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms, and Z 4 is a single bond, —CH═CH—, —C≡C—, —COO—, —OCO—, or alkylene having 1 to 20 carbon atoms. And Y 1 in Formula (1) is the group defined in claim 1.

  本发明涉及一种由公式（1）表示的化合物以及使用该化合物获得的聚合物：其中R1是苯基，可以具有取代基，Q1是氢、卤素、1至10个碳原子的烷基、环丙基、环丁基、环戊基、环己烯基或苯基，其中可选的氢原子可以被卤素或1至5个碳原子的烷基所取代，<—Z0A1-Z1lA2-Z2mA3-Z3nA4p-Z4—（2）和Q2是由公式（2）表示的基团：其中代码<表示与硅的连接点，l、m、n和p独立地为0、1、2或3，A1至A4独立地为单键、1,4-环己基、1,4-环己烯基、具有6至10个碳原子的紧凑环基团，或1,4-苯基，Z0至Z3独立地为单键、CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基，Z4为单键、—CH═CH—、—C≡C—、—COO—、—OCO—或具有1至20个碳原子的烷基。公式（1）中的Y1是权利要求1中定义的基团。
• DETACHABLE LAYER-FORMING COMPOSITION AND DETACHABLE LAYER
  申请人：Nissan Chemical Corporation

  公开号：EP3467040A1

  公开（公告）日：2019-04-10

  Provided is a detachable layer-forming composition which, for example, contains an organic solvent and a polyamic acid, both ends of which are derived from a diamine and sealed with an aromatic dicarboxylic acid, such as the polyamic acid represented by this formula. (In the formula, X represents a tetravalent aromatic group, Y represents a divalent aromatic group, R1-R4 each independently represent a hydrogen atom, a C1-10 alkyl group, or a C6-20 aryl group, and m is a natural number.)

  本发明提供了一种可剥离层形成组合物，例如，该组合物含有一种有机溶剂和一种聚氨基甲酸酯，其两端由二元胺衍生，并用芳香族二羧酸（如本式所代表的聚氨基甲酸酯）密封。 (式中：X 代表四价芳香基团，Y 代表二价芳香基团，R1-R4 各自独立地代表氢原子、C1-10 烷基或 C6-20 芳基，m 为自然数）。
• Varnish for forming liquid crystal alignment layer and liquid crystal display element using the same
  申请人：Hattori Takayuki

  公开号：US20060204680A1

  公开（公告）日：2006-09-14

  A varnish for forming a liquid crystal alignment layer is prepared by formulating a polymer obtained by using a silsesquioxane derivative represented by the formula (1), and a solvent. In the formula (1), R independently represents an unsubstituted phenyl, cyclopentyl, cyclohexyl, or t-butyl group, and Y 1 independently represents a group selected from the following formulae (a-1) to (a-6).

  通过配制由式（1）表示的硅倍半氧烷衍生物和溶剂得到的聚合物，制备出一种用于形成液晶配位层的清漆。 在式 (1) 中，R 分别代表未取代的苯基、环戊基、环己基或叔丁基，而 Y 1 独立地代表选自下式（a-1）至（a-6）的基团。