1,2,4,5-tetrakis-<2-<2-(1,3-dioxolan-2-yl)phenoxy>ethoxy>benzene | 133967-54-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2,4,5-tetrakis-<2-<2-(1,3-dioxolan-2-yl)phenoxy>ethoxy>benzene
• 英文别名: 1,2,4,5-tetrakis(2'-(o-(1'',3''-dioxolan-2''-yl)phenoxy)ethoxy)benzene；2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane；2-[2-[2-[2,4,5-tris[2-[2-(1,3-dioxolan-2-yl)phenoxy]ethoxy]phenoxy]ethoxy]phenyl]-1,3-dioxolane
• CAS: 133967-54-1
• 化学式: C₅₀H₅₄O₁₆
• 分子量: 910.969
• InChiKey: JYVTWSAMQLZEKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  66
• 可旋转键数：
  24
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  1,2,4,5-tetrakis-<2-<2-(1,3-dioxolan-2-yl)phenoxy>ethoxy>benzene 在 硫酸 作用下， 以 丙酮 为溶剂， 以79%的产率得到1,2,4,5-tetrakis(2'-(o-formylphenoxy)ethoxy)benzene
  参考文献：
  名称：

  Four-Atom-Linked Capped Porphyrins:  Synthesis and Characterization

  摘要：

  Three new capped porphyrins, H-2(OC(2)OPor) (7), H-2(OC(CO)NPor) (13), and H-2(OC(2)NPor) (14), to be used as heme model compounds, have been synthesized and characterized. These compounds have the shortest linkages between cap and porphyrin plane of any four-arm capped porphyrins synthesized to date. The general synthetic procedure for H-2(OC(2)OPor) involves the reaction of a tetraaldehyde ''cap'' with pyrrole to form the capped porphyrin. In the synthesis of the tetraamide-capped porphyrin, H-2(OC(CO)NPor), a tetraacid chloride cap is reacted with meso-alpha,alpha,alpha,alpha-tetra-(o-aminophenyl)porphyrin. The amide groups may be reduced to form H-2(OC(2)NPor). With the use of FeBr2, Fe2+ may be inserted in high yield into Ha(2)(OC(2)OPor) and H-2(OC(CO)NPor). The crystal structures of H-2(OC(2)NPor), Fe(OC(2)OPor)(OMe), and [Fe(OC(2)OPor)](2)(mu-O) provide details on the types and amounts of cap expansion necessary to accommodate small ligands of biological interest, such as O-2 and CO.

  DOI：

  10.1021/jo9521615
• 作为产物：
  描述：

  1,2,4,5-四羟基苯 、 2-<2-<2-(tosyloxy)ethoxy>phenyl>-1,3-dioxolane 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 以59%的产率得到1,2,4,5-tetrakis-<2-<2-(1,3-dioxolan-2-yl)phenoxy>ethoxy>benzene
  参考文献：
  名称：

  Johnson, Martin R.; Seok, Won K.; Ibers, James A., Journal of the American Chemical Society, 1991, vol. 113, # 10, p. 3998 - 4000

  摘要：

  DOI：

文献信息

• JOHNSON, MARTIN R.;SEOK, WON K.;IBERS, JAMES A., J. AMER. CHEM. SOC., 113,(1991) N0, C. 3998-4000
  作者：JOHNSON, MARTIN R.、SEOK, WON K.、IBERS, JAMES A.

  DOI：——

  日期：——
• Capped-porphyrin precursors
  作者：P. G. Jene、D. S. Chan、B. L. Cooke、J. A. Ibers

  DOI：10.1107/s0108270198018034

  日期：1999.5.15

  In the crystalline state, 2-[3-(tosyloxy)propoxy]benzaldehyde [(I), C17H18O5S] exists in a U-shaped conformation. The benzaldehyde and toluene rings are nearly parallel. Crystals of 2-[2(tosyloxy)ethoxy]benzaldehyde occur with two habits. The X-ray structure determinations of these habits reveal an anhydrous form [(II), C16H16O5S] and a hemihydrated form [(III), C16H16O5S.0.5H(2)O] In (III), a water molecule bridges two carbonyl functions [O6...O1 2.87 (1) Angstrom] 1,2,4,5-Tetrakis2-[2-(1,3-dioxolan-2-yl)phenoxy]ethoxy}benzene [(IV), C50H54O16] was prepared by protecting the aldehyde function of (II) or (III) with ethylene glycol and reacting the resulting compound, with 1,2,4,5-tetrahydroxybenzene. Compound (IV) has (1) over bar symmetry.