1,2-bis(acetonyloxy)benzene | 33631-83-3

• 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-bis(acetonyloxy)benzene
• 英文别名: 1,1'-o-Phenylendioxydiaceton；1-[2-(2-Oxopropoxy)phenoxy]propan-2-one
• CAS: 33631-83-3
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: QDBPIIVGUHUBRV-UHFFFAOYSA-N

物化性质

• 熔点：
  49-50 °C(Solv: ligroine (8032-32-4))
• 沸点：
  333.8±22.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-bis(acetonyloxy)benzene 在 三氟化硼乙醚 、 三氟乙酸 作用下， 反应 6.25h， 生成 1,12,17,17,26,26-Hexamethyl-3,10-dioxa-31,32,33,34-tetrazaheptacyclo[10.9.9.113,16.118,21.122,25.127,30.04,9]tetratriaconta-4,6,8,13,15,18,20,22,24,27,29-undecaene
  参考文献：
  名称：

  Calix[4]pyrroles with Shortest Possible Strap: Exclusively Selective toward Fluoride Ion

  摘要：

  Four new calix[4]pyrroles with the shortest possible strap so far through ortho-linking of the aromatic unit have been synthesized, including a naphthalene-derived fluorescent receptor. They show exclusive selectivity toward the fluoride ion as confirmed by H-1 NMR, isothermal titration calorimetry, and fluorescence spectroscopic study. Anion affinity could also be modulated further via functionalization at the strap. Computational analysis displays calix[4]pyrroles binding to fluoride ion in a very unusual 1,3-alternate conformation where the anion resides on the opposite side of the strap.

  DOI：

  10.1021/acs.orglett.5b01866
• 作为产物：
  描述：

  邻苯二酚 、 溴丙酮 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.33h， 以42%的产率得到1,2-bis(acetonyloxy)benzene
  参考文献：
  名称：

  Calix[4]pyrroles with Shortest Possible Strap: Exclusively Selective toward Fluoride Ion

  摘要：

  Four new calix[4]pyrroles with the shortest possible strap so far through ortho-linking of the aromatic unit have been synthesized, including a naphthalene-derived fluorescent receptor. They show exclusive selectivity toward the fluoride ion as confirmed by H-1 NMR, isothermal titration calorimetry, and fluorescence spectroscopic study. Anion affinity could also be modulated further via functionalization at the strap. Computational analysis displays calix[4]pyrroles binding to fluoride ion in a very unusual 1,3-alternate conformation where the anion resides on the opposite side of the strap.

  DOI：

  10.1021/acs.orglett.5b01866

文献信息

• The conformations of 3,4-dihydro-2H-1,5-benzodioxepin, and its derivatives as determined from their ultraviolet absorption spectra
  作者：A. W. Archer、P. A. Claret、D. F. Hayman

  DOI：10.1039/j29710001231

  日期：——

  Derivatives of 3,4-dihydro-2H-1,5-benzodioxepin, with substituents in the aromatic and heterocyclic rings, have been prepared and the intensity of the Ph–O π→π* transition has been used to determine the angle of twist (θ) between the plane of the aromatic ring and the planes containing the oxygen bonds. The results obtained have been compared with the values of θ measured on molecular models. The unsubstituted

  制备了3,4-二氢-2 H -1,5-苯并二恶英的衍生物，在芳香族和杂环上带有取代基，并使用了Ph– Oπ → π *跃迁的强度来确定芳环的平面和含氧键的平面之间的扭转（θ）。将获得的结果与分子模型上测得的θ值进行了比较。未取代的杂环似乎以椅子构象存在，其不受2-，2-和4-位取代的影响，但在3-位，特别是烷基，亚甲基或取代的亚甲基的取代会产生替代偏斜构象的内容大大增加。
• [EN] MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES<br/>[FR] MACROMOLÉCULES DE CONJUGUÉS DENDRIMÈRE-PLATINE
  申请人：STARPHARMA PTY LTD

  公开号：WO2015035446A1

  公开（公告）日：2015-03-19

  The present invention relates to a macromolecule comprising a dendrimer having surface amino groups to which at least one platinum-containing moiety is attached. In particular embodiments, the macromolecule has a plurality of platinum-containing moieties attached to the surface amino groups. In another particular embodiment, the macromolecule comprises a dendrimer having surface amino groups to which at least two different moieties are attached, a first moiety being a platinum-containing moiety and the second moiety being a pharmacokinetic modifying agent or targeting agent. Pharmaceutical compositions comprising the macromolecules and uses of the macromolecules for treating or suppressing the growth of a cancer is also described.

  本发明涉及一种包括具有表面氨基团的树枝状分子的大分子，其中至少连接有一个含铂基团。在特定实施方式中，该大分子具有连接到表面氨基团的多个含铂基团。在另一特定实施方式中，该大分子包括具有表面氨基团的树枝状分子，其中至少连接有两种不同的基团，第一种基团是含铂基团，第二种基团是药代动力学改性剂或靶向剂。还描述了包括这些大分子的药物组合物以及这些大分子用于治疗或抑制癌症生长的用途。
• MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES
  申请人：STARPHARMA PTY LTD.

  公开号：US20160220689A1

  公开（公告）日：2016-08-04

  A macromolecule comprising a dendrimer having surface amino groups to which at least one platinum-containing moiety is attached is provided. The macromolecule may have a plurality of platinum-containing moieties attached to the surface amino groups. Alternatively, the macromolecule may comprise a dendrimer having surface amino groups to which at least two different moieties are attached, a first moiety being a platinum-containing moiety and the second moiety being a pharmacokinetic modifying agent or targeting agent. Pharmaceutical compositions comprising the macromolecules and uses of the macromolecules for treating or suppressing the growth of a cancer is also described.

  本发明提供了一种大分子，包括具有表面氨基团的树状分子，至少一个含铂基团附着于其上。该大分子可以具有多个附着在表面氨基团上的含铂基团。或者，该大分子可以包括具有表面氨基团的树状分子，至少附着有两种不同的基团，第一种基团是含铂基团，第二种基团是药物动力学修饰剂或靶向剂。还描述了包括该大分子的制药组合物以及使用该大分子治疗或抑制癌症生长的用途。
• SADYKOV, T.;ERZHANOV, K. B.;BASYMBEKOV, M. B.;PRALIEV, S. D., IZV. AN KAZSSR. CEP. XIM.,(1988) N 1, 63-67
  作者：SADYKOV, T.、ERZHANOV, K. B.、BASYMBEKOV, M. B.、PRALIEV, S. D.

  DOI：——

  日期：——
• (R)-2-OCTANOL DEHYDROGENASES, METHODS FOR PRODUCING THE ENZYMES, DNA ENCODING THE ENZYMES, AND METHODS FOR PRODUCING ALCOHOLS USING THE ENZYMES
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1179595B1

  公开（公告）日：2010-09-01