9-isopropylidenexanthene | 101109-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9-isopropylidenexanthene
• 英文别名: 9-Isopropyliden-xanthen；9-Propan-2-ylidenexanthene
• CAS: 101109-86-8
• 化学式: C₁₆H₁₄O
• 分子量: 222.287
• InChiKey: IVFSHXUBEMZBAV-UHFFFAOYSA-N

物化性质

• 熔点：
  82 °C
• 沸点：
  330.8±22.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9-isopropylidenexanthene 、 P,P-双(4-甲基苯基)-氯化膦 氯二对甲苯基膦 在 正丁基锂 、 四甲基乙二胺 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 32.0h， 以50%的产率得到
  参考文献：
  名称：

  Microwave-assisted oxidation reaction of primary alcohols with sensitive functional groups to aldehydes using ruthenium diphosphorus complexes

  摘要：

  DOI：

  10.24820/ark.5550190.p011.197
• 作为产物：
  描述：

  占吨酮 在 对甲苯磺酸 、 magnesium 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 9-isopropylidenexanthene
  参考文献：
  名称：

  Microwave-assisted oxidation reaction of primary alcohols with sensitive functional groups to aldehydes using ruthenium diphosphorus complexes

  摘要：

  DOI：

  10.24820/ark.5550190.p011.197

文献信息

• Macrocyclic oximyl hepatitis C protease inhibitors
  申请人：Sun Ying

  公开号：US20070281884A1

  公开（公告）日：2007-12-06

  The present invention discloses compounds of formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明揭示了化合物I的公式，或其药用可接受的盐、酯或前药：这些化合物抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了乙型肝炎病毒的生命周期，同时也可用作抗病毒剂。本发明还涉及包含上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给患者投予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS
  申请人：Liu Dong

  公开号：US20090149491A1

  公开（公告）日：2009-06-11

  The present invention discloses compounds of formula I, II, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. More specifically, the invention relates to oxime compounds containing a carbocyclic P2 unit. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明揭示了化合物I、II的结构，或其药用可接受的盐、酯或前药：这些化合物抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒（HCV）NS3-NS4A蛋白酶的活性。因此，本发明的化合物干扰了乙型肝炎病毒的生命周期，并且还可用作抗病毒剂。更具体地，本发明涉及含有环戊二烯基P2单元的肟化合物。本发明还涉及包括上述化合物的药物组合物，用于给患有HCV感染的受试者。该发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。
• Structure of Three Related Diphosphorus Ligands: Highlighting the Significance of the Backbone
  作者：Thashree Marimuthu、Muhammad D. Bala、Holger B. Friedrich

  DOI：10.1007/s10870-011-0233-1

  日期：2012.3

  The three compounds contained in this report—4,6-bis(diphenylphosphino)-10,10-dimethylphenoxasilin (sixantphos), 1; 4,5-bis(diphenylphosphino)-9-isopropylidenexanthene, (isopropxantphos) 2 and bis-(2-diphenylphosphino)-p-tolyl) ether (PTEphos) 3, all contain a common ether-linked diphenylphosphino backbone. These structures are of interest with respect to the intra-molecular P···P distance which is 3.884(2), 4.104(2) and 5.151(2) Å for 1, 2 and 3 respectively. The differences in the P···P distances are as a result of the variations in the backbones. Structure 1 shows a significant roof-like bending of the backbone along the axis of planarity involving the oxygen and Si donor atoms. Compound 2 is also folded with a larger dihedral angle of 35.85(2)° as compared to 24.14(2)° found in 1. The backbone in structure 3 is significantly bent and twisted with a dihedral angle of 67.34(2)°. These data show the effect on the intra-molecular P···P distance of varying the backbone of three xantphos-type ligands, with respect to the nature of the heterocycle donor 1, the substituent on the donor 2 and total loss of xanthene character 3. Differences in the P···P distances of three xantphos-based compounds are related to the variations in the backbones. These intra-molecular P···P distances vary between 3.884(2) Å, 4.104(2) Å and 5.151(2) Å for the reported compounds.

  本报告中包含的三种化合物——4,6-双(二苯基膦)-10,10-二甲基苯氧基硅烷（六抗磷）、1；4,5-双(二苯基膦)-9-异丙亚基氧杂蒽（异丙氧杂磷）2和双(2-二苯基膦)-对甲苯基)醚（PTE磷）3，均含有共同的醚键联二苯基膦骨架。这些结构与分子内P···P距离有关，1、2和3的分子内P···P距离分别为3.884(2)、4.104(2)和5.151(2) Å。P···P距离的差异是骨架变化的结果。结构1显示，骨架沿平面轴线发生明显的屋顶状弯曲，涉及氧和硅供体原子。化合物2也发生折叠，二面角为35.85(2)°，而结构1中的二面角为24.14(2)°。结构3中的骨架发生明显的弯曲和扭曲，二面角为67.34(2)°。这些数据表明，改变三种氧杂磷杂环型配体的骨架对分子内P···P距离的影响，涉及杂环供体1的性质、供体
• Rigaudy; Kha-Vang-Thang, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 249, p. 1008
  作者：Rigaudy、Kha-Vang-Thang

  DOI：——

  日期：——
• MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS
  申请人：Sun Ying

  公开号：US20070281885A1

  公开（公告）日：2007-12-06

  The present invention discloses compounds of formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.