1,2-Di(p-hydroxymethylphenoxy)ethane | 93006-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-Di(p-hydroxymethylphenoxy)ethane
• 英文别名: 1,2-Di-(4-hydroxymethyl-phenoxy)-ethan；1,2-Bis(4-hydroxymethylphenoxy)ethane；[4-[2-[4-(hydroxymethyl)phenoxy]ethoxy]phenyl]methanol
• CAS: 93006-44-1
• 化学式: C₁₆H₁₈O₄
• 分子量: 274.317
• InChiKey: DUIZMPHEHYRGGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-Di(p-hydroxymethylphenoxy)ethane 在 溴 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以67%的产率得到1-(溴甲基)-4-[2-[4-(溴甲基)苯氧基]乙氧基]苯
  参考文献：
  名称：

  Self-Complementary [2]Catenanes and Their Related [3]Catenanes

  摘要：

  Three [3]catenanes with cavities large enough to accommodate aromatic guests have been designed and synthesized (yields = 5-20 %) by means of kinetically controlled self-assembly processes The X-ray structural analysis of one of three [3]catenanes confirmed the presence of a rectangular cavity (dimensions = 7 x 11 Angstrom) lined by pi-electron-rich recognition sites and hydrogen-bond acceptor groups. Ln spite of their apparently ideal recognition features, none of these [3]catenanes bind guests incorporating a pi-electron-deficient bipyridinium unit. However, the template-directed syntheses of the [3]catenanes also produce, in yields of 2-23%, [2]catenanes incorporating a 1,5-dioxynaphtho[38]crown-10 interlocked with a bipyridinium-based tetracationic cyclophane. The X-ray structural analyses of two of these [2]catenanes revealed that a combination of [pi ... pi] and [C-H ... pi] interactions is responsible for the formation of supramolecular homodimers in the solid state. H-1 NMR spectroscopic investigations of the four [2]catenanes demonstrated that supramolecular homodimers are also formed (K-a-17-31 M-1, T = 185 K) in (CD3)(2)CO solutions. Dynamic H-1 NMR spectroscopy revealed that the 1,5-dioxynaphtho[38]crown-10 and tetracationic cyclophane components in the four [2]catenanes and in the three [3]catenanes circumrotate: (Delta G(c)* = 9-14 kcal mol(-1)) through each other's cavity in (CD3)(2)CO. Similarly, the 1,5-dioxynaphthalene and the bipyridinium ring systems rotate (Delta G(c)* = 10-14 kcal mol(-1)) about their [O ... O] and [N ... N] axes, respectively, in solution.

  DOI：

  10.1002/1521-3765(20000616)6:12<2262::aid-chem2262>3.0.co;2-g
• 作为产物：
  描述：

  4,4'-[1,2-乙烷二基二(氧基)]二苯甲酸二甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以90%的产率得到1,2-Di(p-hydroxymethylphenoxy)ethane
  参考文献：
  名称：

  Self-Complementary [2]Catenanes and Their Related [3]Catenanes

  摘要：

  Three [3]catenanes with cavities large enough to accommodate aromatic guests have been designed and synthesized (yields = 5-20 %) by means of kinetically controlled self-assembly processes The X-ray structural analysis of one of three [3]catenanes confirmed the presence of a rectangular cavity (dimensions = 7 x 11 Angstrom) lined by pi-electron-rich recognition sites and hydrogen-bond acceptor groups. Ln spite of their apparently ideal recognition features, none of these [3]catenanes bind guests incorporating a pi-electron-deficient bipyridinium unit. However, the template-directed syntheses of the [3]catenanes also produce, in yields of 2-23%, [2]catenanes incorporating a 1,5-dioxynaphtho[38]crown-10 interlocked with a bipyridinium-based tetracationic cyclophane. The X-ray structural analyses of two of these [2]catenanes revealed that a combination of [pi ... pi] and [C-H ... pi] interactions is responsible for the formation of supramolecular homodimers in the solid state. H-1 NMR spectroscopic investigations of the four [2]catenanes demonstrated that supramolecular homodimers are also formed (K-a-17-31 M-1, T = 185 K) in (CD3)(2)CO solutions. Dynamic H-1 NMR spectroscopy revealed that the 1,5-dioxynaphtho[38]crown-10 and tetracationic cyclophane components in the four [2]catenanes and in the three [3]catenanes circumrotate: (Delta G(c)* = 9-14 kcal mol(-1)) through each other's cavity in (CD3)(2)CO. Similarly, the 1,5-dioxynaphthalene and the bipyridinium ring systems rotate (Delta G(c)* = 10-14 kcal mol(-1)) about their [O ... O] and [N ... N] axes, respectively, in solution.

  DOI：

  10.1002/1521-3765(20000616)6:12<2262::aid-chem2262>3.0.co;2-g

文献信息

• [EN] NOVEL DIHYDROPYRIDINONE AND DIHYDROPYRIMIDINONE COMPOUNDS AND THEIR USE<br/>[FR] NOUVEAUX COMPOSÉS DIHYDROPYRIDINONE ET DIHYDROPYRIMIDINONE ET LEUR UTILISATION
  申请人：UNIV LILLE II DROIT & SANTE

  公开号：WO2017134188A1

  公开（公告）日：2017-08-10

  The present invention is directed to novel compounds of Formula I; pharmaceutically acceptable salts or solvates thereof, and their use.

  本发明涉及公式I的新化合物；其药学上可接受的盐或溶剂，以及它们的用途。
• Polyazomethine fibers and films
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04048148A1

  公开（公告）日：1977-09-13

  High strength fibers and films are prepared from melt extrudable (co)polyazomethines.

  高强度纤维和薄膜是由可熔融挤出的(共)聚合物制成的。
• Fibers and anisotropic melts of polyazomethines
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04122070A1

  公开（公告）日：1978-10-24

  High strength fibers and films are prepared from melt extrudable (co)polyazomethines.

  高强度纤维和薄膜是由可熔融挤出的（共）聚合物制备而成的。
• US4048148A
  申请人：——

  公开号：US4048148A

  公开（公告）日：1977-09-13
• US4122070A
  申请人：——

  公开号：US4122070A

  公开（公告）日：1978-10-24