1,3-bis<4-(hydroxymethyl)-2-methoxyphenoxy>propane | 110316-12-6

• 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: 1,3-bis<4-(hydroxymethyl)-2-methoxyphenoxy>propane
• 英文别名: 1,3-bis[4-(hydroxymethyl)-2-methoxyphenoxy]propane；{Propane-1,3-diylbis[oxy(3-methoxy-4,1-phenylene)]}dimethanol；[4-[3-[4-(hydroxymethyl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]methanol
• CAS: 110316-12-6
• 化学式: C₁₉H₂₄O₆
• 分子量: 348.396
• InChiKey: SZOUXZCLFODPCQ-UHFFFAOYSA-N

物化性质

• 熔点：
  153 °C(Solv: isopropanol (67-63-0))
• 沸点：
  527.2±45.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3-bis<4-(hydroxymethyl)-2-methoxyphenoxy>propane 以 甲酸 为溶剂， 反应 3.0h， 以17%的产率得到(+/-)-cryptophane-E
  参考文献：
  名称：

  Two-step synthesis of D 3 and C 3h cryptophanes

  摘要：

  DOI：

  10.1039/c39880000582
• 作为产物：
  描述：

  4,4'-(propane-1,3-diyl-bis-oxy)-bis-(3-methoxybenzaldehyde) 在 甲醇 、 sodium tetrahydroborate 作用下， 生成 1,3-bis<4-(hydroxymethyl)-2-methoxyphenoxy>propane
  参考文献：
  名称：

  Spectral study on the inclusion complex of cryptophane-E and CHCl3

  摘要：

  Cryptophane-E was synthesized from vanillin by a three-step method, and its absorption and fluorescence spectroscopic properties were determined. Two absorption hands at about 245-260 and 280-290 nm were observed for cryptophane-E and the fluorescence emission maxima were at 320-330 nm depending on the solvent used. The interaction of cryptophane-E with CHCl3 was studied in detail by absorption and fluorescence spectroscopies. The results showed that cryptophane-E and CHCl3 can easily form a stable 1:1 host-guest inclusion complex. Their binding constant (K) was determined by Benesi-Hildebrand equation and the nonlinear least squares fit method. The binding constant is largest in ethyl acetate, followed by dioxane and with acetonitrile as the smallest. In addition, the effect of guest volume on the host-guest inclusion complex was investigated. Guest Molecules including CH2Cl2 and CCl4 were unable to form inclusion complex with cryptophane-E because of sizes mismatching with the host cavity. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.10.004

文献信息

• Synthesis and exciton optical activity of D3-cryptophanes
  作者：Josette Canceill、Andre Collet、Giovanni Gottarelli、Paolo Palmieri

  DOI：10.1021/ja00255a035

  日期：1987.10
• Two-step synthesis of D 3 and C 3h cryptophanes
  作者：Josette Canceill、Andr� Collet

  DOI：10.1039/c39880000582

  日期：——
• CANCEILL, JOSETTE;COLLET, ANDRE;GOTTARELLI, GIOVANNI;PALMIERI, PAOLO, J. AMER. CHEM. SOC., 109,(1987) N 21, 6454-6464
  作者：CANCEILL, JOSETTE、COLLET, ANDRE、GOTTARELLI, GIOVANNI、PALMIERI, PAOLO

  DOI：——

  日期：——
• CANCEILL, JOSETTE;COLLET, ANDRE, J. CHEM. SOC. CHEM. COMMUN.,(1988) N 9, C. 582-584
  作者：CANCEILL, JOSETTE、COLLET, ANDRE

  DOI：——

  日期：——
• Spectral study on the inclusion complex of cryptophane-E and CHCl3
  作者：Caihong Zhang、Weili Shen、Ruying Fan、Guomei Zhang、Shaomin Shuang、Chuan Dong、Martin M.F. Choi

  DOI：10.1016/j.saa.2009.10.004

  日期：2010.1

  Cryptophane-E was synthesized from vanillin by a three-step method, and its absorption and fluorescence spectroscopic properties were determined. Two absorption hands at about 245-260 and 280-290 nm were observed for cryptophane-E and the fluorescence emission maxima were at 320-330 nm depending on the solvent used. The interaction of cryptophane-E with CHCl3 was studied in detail by absorption and fluorescence spectroscopies. The results showed that cryptophane-E and CHCl3 can easily form a stable 1:1 host-guest inclusion complex. Their binding constant (K) was determined by Benesi-Hildebrand equation and the nonlinear least squares fit method. The binding constant is largest in ethyl acetate, followed by dioxane and with acetonitrile as the smallest. In addition, the effect of guest volume on the host-guest inclusion complex was investigated. Guest Molecules including CH2Cl2 and CCl4 were unable to form inclusion complex with cryptophane-E because of sizes mismatching with the host cavity. (C) 2009 Elsevier B.V. All rights reserved.